SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa: 1
curr_seq: _UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 127 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 640
n_atoms_counter: 640
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 127.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 10000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa: 1
curr_seq: _UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 127 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 640
n_atoms_counter: 640
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 127.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 10000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa: 1
curr_seq: _UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 127 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 640
n_atoms_counter: 640
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 127.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 10000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa: 1
curr_seq: _UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 127 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 640
n_atoms_counter: 640
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 127.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 10000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa: 1
curr_seq: _UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 127 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 640
n_atoms_counter: 640
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 127.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 10000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa: 1
curr_seq: _UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 127 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 640
n_atoms_counter: 640
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 127.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 10000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa: 1
curr_seq: _UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 127 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 640
n_atoms_counter: 640
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 127.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 10000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa: 1
curr_seq: _UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 127 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 640
n_atoms_counter: 640
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 127.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 10000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa: 1
curr_seq: _UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 127 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 640
n_atoms_counter: 640
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 127.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 10000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA-a2792f7b/inputs/seq.fa: 1
curr_seq: _UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUAAAAAACAUCAUUUAGCGUGACUUUCUUUCAACAGCUAACAAUUGUUGUUACUGCCUAAUGUUUUUAGGGUAUUUUAAAAAAGGGCGAUAAAAAACGAUUGGGGGAUGAGACAUGAACGCUCAA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 127 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 640
n_atoms_counter: 640
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 127.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 10000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -506.748580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.748580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.748580 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.000
local terms energy: -494.476790
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -106.664
tors. eta vs tors. theta energy: -56.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -506.748580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.748580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.748580 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.000
local terms energy: -494.476790
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -106.664
tors. eta vs tors. theta energy: -56.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -506.748580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.748580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.748580 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.000
local terms energy: -494.476790
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -106.664
tors. eta vs tors. theta energy: -56.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -506.748580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.748580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.748580 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.000
local terms energy: -494.476790
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -106.664
tors. eta vs tors. theta energy: -56.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -506.748580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.748580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.748580 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.000
local terms energy: -494.476790
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -106.664
tors. eta vs tors. theta energy: -56.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -506.748580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.748580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.748580 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.000
local terms energy: -494.476790
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -106.664
tors. eta vs tors. theta energy: -56.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -506.748580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.748580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.748580 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.000
local terms energy: -494.476790
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -106.664
tors. eta vs tors. theta energy: -56.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -506.748580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.748580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.748580 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.000
local terms energy: -494.476790
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -106.664
tors. eta vs tors. theta energy: -56.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -506.748580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.748580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.748580 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.000
local terms energy: -494.476790
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -106.664
tors. eta vs tors. theta energy: -56.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -506.748580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.748580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.748580 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.000
local terms energy: -494.476790
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -93.247
flat angles P-C4'-P energy: -106.664
tors. eta vs tors. theta energy: -56.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -621.789816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.789816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.789816 (E_RNA)
where:
Base-Base interactions energy: -260.888
where: short stacking energy: -258.522
Base-Backbone interact. energy: -0.043
local terms energy: -360.858713
where:
bonds (distance) C4'-P energy: -73.136
bonds (distance) P-C4' energy: -82.012
flat angles C4'-P-C4' energy: -87.333
flat angles P-C4'-P energy: -51.335
tors. eta vs tors. theta energy: -67.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -576.456685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.456685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.456685 (E_RNA)
where:
Base-Base interactions energy: -248.643
where: short stacking energy: -244.840
Base-Backbone interact. energy: 0.043
local terms energy: -327.856115
where:
bonds (distance) C4'-P energy: -83.923
bonds (distance) P-C4' energy: -76.357
flat angles C4'-P-C4' energy: -75.933
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -51.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -556.549033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.549033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.549033 (E_RNA)
where:
Base-Base interactions energy: -231.053
where: short stacking energy: -217.707
Base-Backbone interact. energy: 0.337
local terms energy: -325.832731
where:
bonds (distance) C4'-P energy: -73.277
bonds (distance) P-C4' energy: -58.961
flat angles C4'-P-C4' energy: -93.287
flat angles P-C4'-P energy: -50.869
tors. eta vs tors. theta energy: -49.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -506.785720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.785720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.785720 (E_RNA)
where:
Base-Base interactions energy: -12.649
where: short stacking energy: -12.649
Base-Backbone interact. energy: -0.000
local terms energy: -494.136634
where:
bonds (distance) C4'-P energy: -123.274
bonds (distance) P-C4' energy: -114.509
flat angles C4'-P-C4' energy: -92.950
flat angles P-C4'-P energy: -106.590
tors. eta vs tors. theta energy: -56.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -506.785465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.785465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.785465 (E_RNA)
where:
Base-Base interactions energy: -12.649
where: short stacking energy: -12.649
Base-Backbone interact. energy: -0.000
local terms energy: -494.136634
where:
bonds (distance) C4'-P energy: -123.274
bonds (distance) P-C4' energy: -114.509
flat angles C4'-P-C4' energy: -92.950
flat angles P-C4'-P energy: -106.590
tors. eta vs tors. theta energy: -56.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -505.238086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.238086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.238086 (E_RNA)
where:
Base-Base interactions energy: -13.419
where: short stacking energy: -13.419
Base-Backbone interact. energy: -0.000
local terms energy: -491.818756
where:
bonds (distance) C4'-P energy: -122.919
bonds (distance) P-C4' energy: -112.490
flat angles C4'-P-C4' energy: -93.317
flat angles P-C4'-P energy: -106.287
tors. eta vs tors. theta energy: -56.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -505.666443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.666443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.666443 (E_RNA)
where:
Base-Base interactions energy: -14.852
where: short stacking energy: -14.852
Base-Backbone interact. energy: -0.000
local terms energy: -490.814309
where:
bonds (distance) C4'-P energy: -122.687
bonds (distance) P-C4' energy: -112.477
flat angles C4'-P-C4' energy: -92.435
flat angles P-C4'-P energy: -106.128
tors. eta vs tors. theta energy: -57.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -505.530425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.530425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.530425 (E_RNA)
where:
Base-Base interactions energy: -14.851
where: short stacking energy: -14.851
Base-Backbone interact. energy: -0.000
local terms energy: -490.679335
where:
bonds (distance) C4'-P energy: -122.687
bonds (distance) P-C4' energy: -112.477
flat angles C4'-P-C4' energy: -92.435
flat angles P-C4'-P energy: -105.993
tors. eta vs tors. theta energy: -57.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -505.429317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.429317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.429317 (E_RNA)
where:
Base-Base interactions energy: -14.750
where: short stacking energy: -14.750
Base-Backbone interact. energy: -0.000
local terms energy: -490.679335
where:
bonds (distance) C4'-P energy: -122.687
bonds (distance) P-C4' energy: -112.477
flat angles C4'-P-C4' energy: -92.435
flat angles P-C4'-P energy: -105.993
tors. eta vs tors. theta energy: -57.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -505.497057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.497057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.497057 (E_RNA)
where:
Base-Base interactions energy: -14.749
where: short stacking energy: -14.749
Base-Backbone interact. energy: -0.000
local terms energy: -490.748249
where:
bonds (distance) C4'-P energy: -122.687
bonds (distance) P-C4' energy: -112.477
flat angles C4'-P-C4' energy: -92.679
flat angles P-C4'-P energy: -105.993
tors. eta vs tors. theta energy: -56.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -682.955631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.955631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.955631 (E_RNA)
where:
Base-Base interactions energy: -311.358
where: short stacking energy: -268.840
Base-Backbone interact. energy: 0.904
local terms energy: -372.501600
where:
bonds (distance) C4'-P energy: -85.151
bonds (distance) P-C4' energy: -87.130
flat angles C4'-P-C4' energy: -83.026
flat angles P-C4'-P energy: -50.961
tors. eta vs tors. theta energy: -66.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -634.152613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.152613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.152613 (E_RNA)
where:
Base-Base interactions energy: -291.069
where: short stacking energy: -222.680
Base-Backbone interact. energy: -0.440
local terms energy: -342.643226
where:
bonds (distance) C4'-P energy: -75.819
bonds (distance) P-C4' energy: -82.602
flat angles C4'-P-C4' energy: -81.928
flat angles P-C4'-P energy: -51.365
tors. eta vs tors. theta energy: -50.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -566.088834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.088834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.088834 (E_RNA)
where:
Base-Base interactions energy: -240.251
where: short stacking energy: -238.727
Base-Backbone interact. energy: -0.276
local terms energy: -325.561493
where:
bonds (distance) C4'-P energy: -76.734
bonds (distance) P-C4' energy: -82.398
flat angles C4'-P-C4' energy: -71.591
flat angles P-C4'-P energy: -46.354
tors. eta vs tors. theta energy: -48.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -585.269459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.269459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.269459 (E_RNA)
where:
Base-Base interactions energy: -288.392
where: short stacking energy: -190.912
Base-Backbone interact. energy: -1.699
local terms energy: -295.178640
where:
bonds (distance) C4'-P energy: -84.052
bonds (distance) P-C4' energy: -79.256
flat angles C4'-P-C4' energy: -64.492
flat angles P-C4'-P energy: -36.060
tors. eta vs tors. theta energy: -31.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -496.277197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.277197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.277197 (E_RNA)
where:
Base-Base interactions energy: -217.211
where: short stacking energy: -174.535
Base-Backbone interact. energy: 9.964
local terms energy: -289.030422
where:
bonds (distance) C4'-P energy: -70.805
bonds (distance) P-C4' energy: -75.868
flat angles C4'-P-C4' energy: -71.272
flat angles P-C4'-P energy: -50.376
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -438.052141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.052141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.052141 (E_RNA)
where:
Base-Base interactions energy: -169.885
where: short stacking energy: -146.197
Base-Backbone interact. energy: -0.597
local terms energy: -267.569813
where:
bonds (distance) C4'-P energy: -70.212
bonds (distance) P-C4' energy: -79.131
flat angles C4'-P-C4' energy: -69.636
flat angles P-C4'-P energy: -43.525
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -422.740433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.740433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.740433 (E_RNA)
where:
Base-Base interactions energy: -149.224
where: short stacking energy: -119.455
Base-Backbone interact. energy: -0.687
local terms energy: -272.828877
where:
bonds (distance) C4'-P energy: -66.191
bonds (distance) P-C4' energy: -74.457
flat angles C4'-P-C4' energy: -77.211
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -375.287711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.287711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.287711 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -131.330
Base-Backbone interact. energy: 0.503
local terms energy: -238.809443
where:
bonds (distance) C4'-P energy: -70.097
bonds (distance) P-C4' energy: -73.943
flat angles C4'-P-C4' energy: -56.978
flat angles P-C4'-P energy: -28.882
tors. eta vs tors. theta energy: -8.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -331.349809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.349809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.349809 (E_RNA)
where:
Base-Base interactions energy: -143.416
where: short stacking energy: -93.350
Base-Backbone interact. energy: 1.775
local terms energy: -189.708248
where:
bonds (distance) C4'-P energy: -64.155
bonds (distance) P-C4' energy: -61.750
flat angles C4'-P-C4' energy: -46.314
flat angles P-C4'-P energy: -33.780
tors. eta vs tors. theta energy: 16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -350.376758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.376758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.376758 (E_RNA)
where:
Base-Base interactions energy: -181.728
where: short stacking energy: -98.268
Base-Backbone interact. energy: 0.926
local terms energy: -169.575676
where:
bonds (distance) C4'-P energy: -59.577
bonds (distance) P-C4' energy: -53.618
flat angles C4'-P-C4' energy: -53.419
flat angles P-C4'-P energy: -25.192
tors. eta vs tors. theta energy: 22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -760.936834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.936834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.936834 (E_RNA)
where:
Base-Base interactions energy: -414.186
where: short stacking energy: -300.851
Base-Backbone interact. energy: -0.777
local terms energy: -345.974079
where:
bonds (distance) C4'-P energy: -82.084
bonds (distance) P-C4' energy: -62.621
flat angles C4'-P-C4' energy: -74.971
flat angles P-C4'-P energy: -54.755
tors. eta vs tors. theta energy: -71.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -695.345442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.345442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.345442 (E_RNA)
where:
Base-Base interactions energy: -365.228
where: short stacking energy: -205.011
Base-Backbone interact. energy: -2.782
local terms energy: -327.335291
where:
bonds (distance) C4'-P energy: -69.947
bonds (distance) P-C4' energy: -77.383
flat angles C4'-P-C4' energy: -83.897
flat angles P-C4'-P energy: -48.666
tors. eta vs tors. theta energy: -47.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -723.511336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.511336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.511336 (E_RNA)
where:
Base-Base interactions energy: -386.467
where: short stacking energy: -250.938
Base-Backbone interact. energy: -0.485
local terms energy: -336.558876
where:
bonds (distance) C4'-P energy: -76.374
bonds (distance) P-C4' energy: -77.197
flat angles C4'-P-C4' energy: -80.810
flat angles P-C4'-P energy: -49.654
tors. eta vs tors. theta energy: -52.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -576.771672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.771672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.771672 (E_RNA)
where:
Base-Base interactions energy: -275.865
where: short stacking energy: -219.151
Base-Backbone interact. energy: -0.226
local terms energy: -300.680457
where:
bonds (distance) C4'-P energy: -73.568
bonds (distance) P-C4' energy: -69.327
flat angles C4'-P-C4' energy: -67.298
flat angles P-C4'-P energy: -44.779
tors. eta vs tors. theta energy: -45.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -525.136595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.136595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.136595 (E_RNA)
where:
Base-Base interactions energy: -222.530
where: short stacking energy: -190.686
Base-Backbone interact. energy: -1.240
local terms energy: -301.366430
where:
bonds (distance) C4'-P energy: -72.602
bonds (distance) P-C4' energy: -73.240
flat angles C4'-P-C4' energy: -79.439
flat angles P-C4'-P energy: -43.388
tors. eta vs tors. theta energy: -32.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -437.420809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.420809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.420809 (E_RNA)
where:
Base-Base interactions energy: -166.951
where: short stacking energy: -126.795
Base-Backbone interact. energy: -1.398
local terms energy: -269.071857
where:
bonds (distance) C4'-P energy: -70.399
bonds (distance) P-C4' energy: -72.798
flat angles C4'-P-C4' energy: -72.238
flat angles P-C4'-P energy: -51.671
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -408.402166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.402166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.402166 (E_RNA)
where:
Base-Base interactions energy: -172.278
where: short stacking energy: -115.501
Base-Backbone interact. energy: 2.056
local terms energy: -238.180249
where:
bonds (distance) C4'-P energy: -61.397
bonds (distance) P-C4' energy: -78.396
flat angles C4'-P-C4' energy: -71.491
flat angles P-C4'-P energy: -30.462
tors. eta vs tors. theta energy: 3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -377.198193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.198193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.198193 (E_RNA)
where:
Base-Base interactions energy: -135.104
where: short stacking energy: -112.263
Base-Backbone interact. energy: 0.103
local terms energy: -242.197031
where:
bonds (distance) C4'-P energy: -59.771
bonds (distance) P-C4' energy: -73.150
flat angles C4'-P-C4' energy: -55.379
flat angles P-C4'-P energy: -48.881
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -350.662324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.662324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.662324 (E_RNA)
where:
Base-Base interactions energy: -121.025
where: short stacking energy: -100.167
Base-Backbone interact. energy: 2.139
local terms energy: -231.777151
where:
bonds (distance) C4'-P energy: -80.318
bonds (distance) P-C4' energy: -69.807
flat angles C4'-P-C4' energy: -65.730
flat angles P-C4'-P energy: -25.109
tors. eta vs tors. theta energy: 9.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -331.349820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.349820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.349820 (E_RNA)
where:
Base-Base interactions energy: -112.804
where: short stacking energy: -100.496
Base-Backbone interact. energy: -0.287
local terms energy: -218.259579
where:
bonds (distance) C4'-P energy: -64.516
bonds (distance) P-C4' energy: -70.374
flat angles C4'-P-C4' energy: -62.773
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: 4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -786.199582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.199582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.199582 (E_RNA)
where:
Base-Base interactions energy: -404.986
where: short stacking energy: -305.086
Base-Backbone interact. energy: -1.547
local terms energy: -379.666124
where:
bonds (distance) C4'-P energy: -69.003
bonds (distance) P-C4' energy: -84.256
flat angles C4'-P-C4' energy: -84.588
flat angles P-C4'-P energy: -59.002
tors. eta vs tors. theta energy: -82.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -784.599242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.599242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.599242 (E_RNA)
where:
Base-Base interactions energy: -422.806
where: short stacking energy: -236.765
Base-Backbone interact. energy: -2.423
local terms energy: -359.370796
where:
bonds (distance) C4'-P energy: -67.187
bonds (distance) P-C4' energy: -94.729
flat angles C4'-P-C4' energy: -85.085
flat angles P-C4'-P energy: -63.220
tors. eta vs tors. theta energy: -49.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -702.398802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.398802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.398802 (E_RNA)
where:
Base-Base interactions energy: -357.904
where: short stacking energy: -217.670
Base-Backbone interact. energy: -0.910
local terms energy: -343.585238
where:
bonds (distance) C4'-P energy: -66.946
bonds (distance) P-C4' energy: -89.320
flat angles C4'-P-C4' energy: -82.646
flat angles P-C4'-P energy: -55.453
tors. eta vs tors. theta energy: -49.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -572.715061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.715061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.715061 (E_RNA)
where:
Base-Base interactions energy: -285.246
where: short stacking energy: -208.038
Base-Backbone interact. energy: -1.357
local terms energy: -286.112375
where:
bonds (distance) C4'-P energy: -76.051
bonds (distance) P-C4' energy: -65.293
flat angles C4'-P-C4' energy: -66.095
flat angles P-C4'-P energy: -38.009
tors. eta vs tors. theta energy: -40.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -536.671308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.671308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.671308 (E_RNA)
where:
Base-Base interactions energy: -243.439
where: short stacking energy: -195.031
Base-Backbone interact. energy: -1.228
local terms energy: -292.004330
where:
bonds (distance) C4'-P energy: -70.221
bonds (distance) P-C4' energy: -65.854
flat angles C4'-P-C4' energy: -65.310
flat angles P-C4'-P energy: -52.608
tors. eta vs tors. theta energy: -38.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -479.766377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.766377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.766377 (E_RNA)
where:
Base-Base interactions energy: -186.412
where: short stacking energy: -142.534
Base-Backbone interact. energy: -1.421
local terms energy: -291.933830
where:
bonds (distance) C4'-P energy: -75.010
bonds (distance) P-C4' energy: -77.474
flat angles C4'-P-C4' energy: -59.744
flat angles P-C4'-P energy: -49.343
tors. eta vs tors. theta energy: -30.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -407.757617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.757617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.757617 (E_RNA)
where:
Base-Base interactions energy: -162.797
where: short stacking energy: -108.864
Base-Backbone interact. energy: -0.868
local terms energy: -244.092616
where:
bonds (distance) C4'-P energy: -72.003
bonds (distance) P-C4' energy: -72.464
flat angles C4'-P-C4' energy: -79.381
flat angles P-C4'-P energy: -36.444
tors. eta vs tors. theta energy: 16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -367.806441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.806441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.806441 (E_RNA)
where:
Base-Base interactions energy: -136.549
where: short stacking energy: -115.251
Base-Backbone interact. energy: -2.065
local terms energy: -229.192079
where:
bonds (distance) C4'-P energy: -68.685
bonds (distance) P-C4' energy: -70.906
flat angles C4'-P-C4' energy: -43.442
flat angles P-C4'-P energy: -46.142
tors. eta vs tors. theta energy: -0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -335.059768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.059768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.059768 (E_RNA)
where:
Base-Base interactions energy: -133.018
where: short stacking energy: -95.135
Base-Backbone interact. energy: -1.343
local terms energy: -200.699483
where:
bonds (distance) C4'-P energy: -65.368
bonds (distance) P-C4' energy: -68.125
flat angles C4'-P-C4' energy: -52.363
flat angles P-C4'-P energy: -26.908
tors. eta vs tors. theta energy: 12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -349.067282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.067282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.067282 (E_RNA)
where:
Base-Base interactions energy: -166.889
where: short stacking energy: -105.456
Base-Backbone interact. energy: -1.307
local terms energy: -180.871394
where:
bonds (distance) C4'-P energy: -67.208
bonds (distance) P-C4' energy: -55.627
flat angles C4'-P-C4' energy: -54.463
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: 21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -903.357943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.357943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.357943 (E_RNA)
where:
Base-Base interactions energy: -543.068
where: short stacking energy: -284.491
Base-Backbone interact. energy: -3.007
local terms energy: -357.282718
where:
bonds (distance) C4'-P energy: -80.445
bonds (distance) P-C4' energy: -82.648
flat angles C4'-P-C4' energy: -86.451
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -68.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -739.271140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.271140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.271140 (E_RNA)
where:
Base-Base interactions energy: -406.773
where: short stacking energy: -242.693
Base-Backbone interact. energy: 0.349
local terms energy: -332.847688
where:
bonds (distance) C4'-P energy: -82.799
bonds (distance) P-C4' energy: -91.352
flat angles C4'-P-C4' energy: -64.502
flat angles P-C4'-P energy: -47.466
tors. eta vs tors. theta energy: -46.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -773.834651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.834651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.834651 (E_RNA)
where:
Base-Base interactions energy: -415.522
where: short stacking energy: -247.965
Base-Backbone interact. energy: -2.181
local terms energy: -356.131716
where:
bonds (distance) C4'-P energy: -68.630
bonds (distance) P-C4' energy: -87.321
flat angles C4'-P-C4' energy: -84.329
flat angles P-C4'-P energy: -47.920
tors. eta vs tors. theta energy: -67.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -599.460048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.460048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.460048 (E_RNA)
where:
Base-Base interactions energy: -274.305
where: short stacking energy: -190.946
Base-Backbone interact. energy: -0.532
local terms energy: -324.622689
where:
bonds (distance) C4'-P energy: -84.179
bonds (distance) P-C4' energy: -76.939
flat angles C4'-P-C4' energy: -65.524
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -37.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -611.543258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.543258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.543258 (E_RNA)
where:
Base-Base interactions energy: -321.422
where: short stacking energy: -195.421
Base-Backbone interact. energy: 2.214
local terms energy: -292.335772
where:
bonds (distance) C4'-P energy: -73.717
bonds (distance) P-C4' energy: -75.059
flat angles C4'-P-C4' energy: -57.836
flat angles P-C4'-P energy: -50.329
tors. eta vs tors. theta energy: -35.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -452.059513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.059513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.059513 (E_RNA)
where:
Base-Base interactions energy: -182.520
where: short stacking energy: -151.305
Base-Backbone interact. energy: -0.691
local terms energy: -268.849204
where:
bonds (distance) C4'-P energy: -65.223
bonds (distance) P-C4' energy: -74.236
flat angles C4'-P-C4' energy: -69.312
flat angles P-C4'-P energy: -50.514
tors. eta vs tors. theta energy: -9.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -510.801424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.801424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.801424 (E_RNA)
where:
Base-Base interactions energy: -263.598
where: short stacking energy: -142.113
Base-Backbone interact. energy: -0.796
local terms energy: -246.407973
where:
bonds (distance) C4'-P energy: -74.547
bonds (distance) P-C4' energy: -64.900
flat angles C4'-P-C4' energy: -53.729
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -369.546153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.546153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.546153 (E_RNA)
where:
Base-Base interactions energy: -131.139
where: short stacking energy: -96.487
Base-Backbone interact. energy: -1.442
local terms energy: -236.964931
where:
bonds (distance) C4'-P energy: -58.646
bonds (distance) P-C4' energy: -60.653
flat angles C4'-P-C4' energy: -70.011
flat angles P-C4'-P energy: -42.066
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -443.514637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.514637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.514637 (E_RNA)
where:
Base-Base interactions energy: -212.451
where: short stacking energy: -122.104
Base-Backbone interact. energy: -0.469
local terms energy: -230.595204
where:
bonds (distance) C4'-P energy: -57.424
bonds (distance) P-C4' energy: -72.298
flat angles C4'-P-C4' energy: -66.000
flat angles P-C4'-P energy: -31.088
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -367.035719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.035719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.035719 (E_RNA)
where:
Base-Base interactions energy: -165.159
where: short stacking energy: -97.191
Base-Backbone interact. energy: 2.899
local terms energy: -204.776098
where:
bonds (distance) C4'-P energy: -59.688
bonds (distance) P-C4' energy: -78.282
flat angles C4'-P-C4' energy: -67.764
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: 22.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -936.747196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.747196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.747196 (E_RNA)
where:
Base-Base interactions energy: -564.698
where: short stacking energy: -315.622
Base-Backbone interact. energy: 1.809
local terms energy: -373.858750
where:
bonds (distance) C4'-P energy: -75.394
bonds (distance) P-C4' energy: -76.166
flat angles C4'-P-C4' energy: -81.797
flat angles P-C4'-P energy: -58.495
tors. eta vs tors. theta energy: -82.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -775.457602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.457602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.457602 (E_RNA)
where:
Base-Base interactions energy: -434.017
where: short stacking energy: -274.850
Base-Backbone interact. energy: -0.687
local terms energy: -340.752791
where:
bonds (distance) C4'-P energy: -63.639
bonds (distance) P-C4' energy: -82.719
flat angles C4'-P-C4' energy: -81.485
flat angles P-C4'-P energy: -45.308
tors. eta vs tors. theta energy: -67.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -769.746614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.746614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.746614 (E_RNA)
where:
Base-Base interactions energy: -408.707
where: short stacking energy: -236.420
Base-Backbone interact. energy: -1.592
local terms energy: -359.447600
where:
bonds (distance) C4'-P energy: -85.981
bonds (distance) P-C4' energy: -71.113
flat angles C4'-P-C4' energy: -81.758
flat angles P-C4'-P energy: -63.790
tors. eta vs tors. theta energy: -56.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -678.911440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.911440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.911440 (E_RNA)
where:
Base-Base interactions energy: -365.598
where: short stacking energy: -188.427
Base-Backbone interact. energy: -2.199
local terms energy: -311.115238
where:
bonds (distance) C4'-P energy: -73.721
bonds (distance) P-C4' energy: -79.231
flat angles C4'-P-C4' energy: -75.720
flat angles P-C4'-P energy: -44.774
tors. eta vs tors. theta energy: -37.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -578.609318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.609318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.609318 (E_RNA)
where:
Base-Base interactions energy: -298.785
where: short stacking energy: -199.227
Base-Backbone interact. energy: 2.688
local terms energy: -282.512107
where:
bonds (distance) C4'-P energy: -68.965
bonds (distance) P-C4' energy: -62.538
flat angles C4'-P-C4' energy: -80.490
flat angles P-C4'-P energy: -43.504
tors. eta vs tors. theta energy: -27.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -558.441834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.441834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.441834 (E_RNA)
where:
Base-Base interactions energy: -266.794
where: short stacking energy: -180.829
Base-Backbone interact. energy: -1.409
local terms energy: -290.239094
where:
bonds (distance) C4'-P energy: -70.222
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -67.974
flat angles P-C4'-P energy: -46.019
tors. eta vs tors. theta energy: -26.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -440.906899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.906899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.906899 (E_RNA)
where:
Base-Base interactions energy: -173.569
where: short stacking energy: -107.651
Base-Backbone interact. energy: -0.651
local terms energy: -266.687148
where:
bonds (distance) C4'-P energy: -86.390
bonds (distance) P-C4' energy: -65.716
flat angles C4'-P-C4' energy: -53.682
flat angles P-C4'-P energy: -45.541
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -462.861661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.861661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.861661 (E_RNA)
where:
Base-Base interactions energy: -222.608
where: short stacking energy: -142.501
Base-Backbone interact. energy: -0.814
local terms energy: -239.439442
where:
bonds (distance) C4'-P energy: -54.410
bonds (distance) P-C4' energy: -71.015
flat angles C4'-P-C4' energy: -58.264
flat angles P-C4'-P energy: -42.494
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -386.960125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.960125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.960125 (E_RNA)
where:
Base-Base interactions energy: -165.749
where: short stacking energy: -120.490
Base-Backbone interact. energy: -0.632
local terms energy: -220.579043
where:
bonds (distance) C4'-P energy: -42.889
bonds (distance) P-C4' energy: -65.950
flat angles C4'-P-C4' energy: -62.251
flat angles P-C4'-P energy: -43.141
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -387.029123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.029123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.029123 (E_RNA)
where:
Base-Base interactions energy: -163.219
where: short stacking energy: -101.681
Base-Backbone interact. energy: 2.556
local terms energy: -226.366256
where:
bonds (distance) C4'-P energy: -72.527
bonds (distance) P-C4' energy: -60.321
flat angles C4'-P-C4' energy: -57.805
flat angles P-C4'-P energy: -42.427
tors. eta vs tors. theta energy: 6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -929.233826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.233826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.233826 (E_RNA)
where:
Base-Base interactions energy: -568.739
where: short stacking energy: -309.540
Base-Backbone interact. energy: 2.860
local terms energy: -363.355119
where:
bonds (distance) C4'-P energy: -82.715
bonds (distance) P-C4' energy: -80.697
flat angles C4'-P-C4' energy: -71.478
flat angles P-C4'-P energy: -60.155
tors. eta vs tors. theta energy: -68.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -836.404276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.404276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.404276 (E_RNA)
where:
Base-Base interactions energy: -503.306
where: short stacking energy: -253.827
Base-Backbone interact. energy: -0.737
local terms energy: -332.362146
where:
bonds (distance) C4'-P energy: -72.025
bonds (distance) P-C4' energy: -78.200
flat angles C4'-P-C4' energy: -72.834
flat angles P-C4'-P energy: -46.244
tors. eta vs tors. theta energy: -63.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -789.932683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.932683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.932683 (E_RNA)
where:
Base-Base interactions energy: -459.895
where: short stacking energy: -253.778
Base-Backbone interact. energy: 1.243
local terms energy: -331.280086
where:
bonds (distance) C4'-P energy: -82.679
bonds (distance) P-C4' energy: -80.994
flat angles C4'-P-C4' energy: -68.612
flat angles P-C4'-P energy: -41.876
tors. eta vs tors. theta energy: -57.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -696.329440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.329440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.329440 (E_RNA)
where:
Base-Base interactions energy: -385.288
where: short stacking energy: -217.827
Base-Backbone interact. energy: -1.291
local terms energy: -309.750753
where:
bonds (distance) C4'-P energy: -80.078
bonds (distance) P-C4' energy: -83.012
flat angles C4'-P-C4' energy: -58.381
flat angles P-C4'-P energy: -41.713
tors. eta vs tors. theta energy: -46.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -636.391354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.391354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.391354 (E_RNA)
where:
Base-Base interactions energy: -359.219
where: short stacking energy: -184.038
Base-Backbone interact. energy: 3.177
local terms energy: -280.349413
where:
bonds (distance) C4'-P energy: -61.591
bonds (distance) P-C4' energy: -76.474
flat angles C4'-P-C4' energy: -62.584
flat angles P-C4'-P energy: -51.957
tors. eta vs tors. theta energy: -27.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -527.637749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.637749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.637749 (E_RNA)
where:
Base-Base interactions energy: -246.635
where: short stacking energy: -149.268
Base-Backbone interact. energy: -1.042
local terms energy: -279.960479
where:
bonds (distance) C4'-P energy: -68.635
bonds (distance) P-C4' energy: -77.379
flat angles C4'-P-C4' energy: -65.418
flat angles P-C4'-P energy: -49.137
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -475.814657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.814657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.814657 (E_RNA)
where:
Base-Base interactions energy: -237.628
where: short stacking energy: -148.264
Base-Backbone interact. energy: -2.113
local terms energy: -236.073642
where:
bonds (distance) C4'-P energy: -67.723
bonds (distance) P-C4' energy: -69.017
flat angles C4'-P-C4' energy: -56.819
flat angles P-C4'-P energy: -32.205
tors. eta vs tors. theta energy: -10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -387.409680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.409680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.409680 (E_RNA)
where:
Base-Base interactions energy: -145.896
where: short stacking energy: -88.631
Base-Backbone interact. energy: 0.764
local terms energy: -242.277560
where:
bonds (distance) C4'-P energy: -82.153
bonds (distance) P-C4' energy: -68.954
flat angles C4'-P-C4' energy: -47.469
flat angles P-C4'-P energy: -32.072
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -377.780631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.780631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.780631 (E_RNA)
where:
Base-Base interactions energy: -163.016
where: short stacking energy: -96.430
Base-Backbone interact. energy: -0.799
local terms energy: -213.964985
where:
bonds (distance) C4'-P energy: -61.225
bonds (distance) P-C4' energy: -73.578
flat angles C4'-P-C4' energy: -57.774
flat angles P-C4'-P energy: -34.481
tors. eta vs tors. theta energy: 13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -323.102385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.102385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.102385 (E_RNA)
where:
Base-Base interactions energy: -103.092
where: short stacking energy: -93.343
Base-Backbone interact. energy: 0.286
local terms energy: -220.296573
where:
bonds (distance) C4'-P energy: -64.432
bonds (distance) P-C4' energy: -70.427
flat angles C4'-P-C4' energy: -55.706
flat angles P-C4'-P energy: -35.840
tors. eta vs tors. theta energy: 6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -956.572967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.572967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.572967 (E_RNA)
where:
Base-Base interactions energy: -602.427
where: short stacking energy: -294.478
Base-Backbone interact. energy: 1.224
local terms energy: -355.369720
where:
bonds (distance) C4'-P energy: -83.265
bonds (distance) P-C4' energy: -74.715
flat angles C4'-P-C4' energy: -80.982
flat angles P-C4'-P energy: -57.235
tors. eta vs tors. theta energy: -59.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -880.208428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.208428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.208428 (E_RNA)
where:
Base-Base interactions energy: -520.800
where: short stacking energy: -276.979
Base-Backbone interact. energy: -0.697
local terms energy: -358.711822
where:
bonds (distance) C4'-P energy: -88.294
bonds (distance) P-C4' energy: -79.650
flat angles C4'-P-C4' energy: -79.220
flat angles P-C4'-P energy: -46.329
tors. eta vs tors. theta energy: -65.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -865.221874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.221874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.221874 (E_RNA)
where:
Base-Base interactions energy: -555.111
where: short stacking energy: -263.848
Base-Backbone interact. energy: -2.903
local terms energy: -307.208472
where:
bonds (distance) C4'-P energy: -73.217
bonds (distance) P-C4' energy: -62.332
flat angles C4'-P-C4' energy: -75.970
flat angles P-C4'-P energy: -40.569
tors. eta vs tors. theta energy: -55.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -717.968683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.968683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.968683 (E_RNA)
where:
Base-Base interactions energy: -417.425
where: short stacking energy: -234.643
Base-Backbone interact. energy: 0.029
local terms energy: -300.572731
where:
bonds (distance) C4'-P energy: -67.668
bonds (distance) P-C4' energy: -67.184
flat angles C4'-P-C4' energy: -72.194
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -56.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -742.278240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.278240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.278240 (E_RNA)
where:
Base-Base interactions energy: -433.196
where: short stacking energy: -220.588
Base-Backbone interact. energy: -2.668
local terms energy: -306.414582
where:
bonds (distance) C4'-P energy: -79.482
bonds (distance) P-C4' energy: -64.310
flat angles C4'-P-C4' energy: -68.228
flat angles P-C4'-P energy: -45.734
tors. eta vs tors. theta energy: -48.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -538.358833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.358833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.358833 (E_RNA)
where:
Base-Base interactions energy: -259.796
where: short stacking energy: -153.228
Base-Backbone interact. energy: 0.469
local terms energy: -279.031478
where:
bonds (distance) C4'-P energy: -73.123
bonds (distance) P-C4' energy: -73.113
flat angles C4'-P-C4' energy: -69.868
flat angles P-C4'-P energy: -42.269
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -454.745225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.745225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.745225 (E_RNA)
where:
Base-Base interactions energy: -199.887
where: short stacking energy: -142.036
Base-Backbone interact. energy: -2.612
local terms energy: -252.246926
where:
bonds (distance) C4'-P energy: -72.563
bonds (distance) P-C4' energy: -73.573
flat angles C4'-P-C4' energy: -61.456
flat angles P-C4'-P energy: -35.707
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -372.940948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.940948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.940948 (E_RNA)
where:
Base-Base interactions energy: -139.105
where: short stacking energy: -112.168
Base-Backbone interact. energy: 0.900
local terms energy: -234.735899
where:
bonds (distance) C4'-P energy: -63.365
bonds (distance) P-C4' energy: -72.264
flat angles C4'-P-C4' energy: -57.947
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -348.487261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.487261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.487261 (E_RNA)
where:
Base-Base interactions energy: -136.712
where: short stacking energy: -100.299
Base-Backbone interact. energy: -0.914
local terms energy: -210.861774
where:
bonds (distance) C4'-P energy: -66.249
bonds (distance) P-C4' energy: -59.484
flat angles C4'-P-C4' energy: -58.522
flat angles P-C4'-P energy: -35.231
tors. eta vs tors. theta energy: 8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -351.559294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.559294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.559294 (E_RNA)
where:
Base-Base interactions energy: -122.761
where: short stacking energy: -116.750
Base-Backbone interact. energy: 0.230
local terms energy: -229.028332
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -79.579
flat angles C4'-P-C4' energy: -53.254
flat angles P-C4'-P energy: -36.273
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -976.900269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.900269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.900269 (E_RNA)
where:
Base-Base interactions energy: -616.898
where: short stacking energy: -305.408
Base-Backbone interact. energy: 1.612
local terms energy: -361.614148
where:
bonds (distance) C4'-P energy: -73.993
bonds (distance) P-C4' energy: -76.619
flat angles C4'-P-C4' energy: -81.152
flat angles P-C4'-P energy: -45.740
tors. eta vs tors. theta energy: -84.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -949.735226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.735226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.735226 (E_RNA)
where:
Base-Base interactions energy: -565.583
where: short stacking energy: -273.660
Base-Backbone interact. energy: -3.361
local terms energy: -380.791219
where:
bonds (distance) C4'-P energy: -79.015
bonds (distance) P-C4' energy: -90.263
flat angles C4'-P-C4' energy: -84.683
flat angles P-C4'-P energy: -53.674
tors. eta vs tors. theta energy: -73.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -906.792673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.792673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.792673 (E_RNA)
where:
Base-Base interactions energy: -593.513
where: short stacking energy: -245.921
Base-Backbone interact. energy: -2.087
local terms energy: -311.193105
where:
bonds (distance) C4'-P energy: -76.740
bonds (distance) P-C4' energy: -80.070
flat angles C4'-P-C4' energy: -75.743
flat angles P-C4'-P energy: -29.709
tors. eta vs tors. theta energy: -48.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -684.081838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.081838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.081838 (E_RNA)
where:
Base-Base interactions energy: -391.771
where: short stacking energy: -195.702
Base-Backbone interact. energy: 2.344
local terms energy: -294.654466
where:
bonds (distance) C4'-P energy: -74.836
bonds (distance) P-C4' energy: -83.147
flat angles C4'-P-C4' energy: -61.282
flat angles P-C4'-P energy: -43.964
tors. eta vs tors. theta energy: -31.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -777.550921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.550921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.550921 (E_RNA)
where:
Base-Base interactions energy: -477.890
where: short stacking energy: -229.795
Base-Backbone interact. energy: -1.191
local terms energy: -298.470201
where:
bonds (distance) C4'-P energy: -71.622
bonds (distance) P-C4' energy: -69.853
flat angles C4'-P-C4' energy: -71.505
flat angles P-C4'-P energy: -40.376
tors. eta vs tors. theta energy: -45.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -533.672190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.672190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.672190 (E_RNA)
where:
Base-Base interactions energy: -263.174
where: short stacking energy: -157.675
Base-Backbone interact. energy: -2.001
local terms energy: -268.497221
where:
bonds (distance) C4'-P energy: -67.546
bonds (distance) P-C4' energy: -78.266
flat angles C4'-P-C4' energy: -61.425
flat angles P-C4'-P energy: -42.322
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -477.445596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.445596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.445596 (E_RNA)
where:
Base-Base interactions energy: -220.174
where: short stacking energy: -131.242
Base-Backbone interact. energy: -0.357
local terms energy: -256.915228
where:
bonds (distance) C4'-P energy: -68.719
bonds (distance) P-C4' energy: -63.359
flat angles C4'-P-C4' energy: -68.508
flat angles P-C4'-P energy: -34.300
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -371.819014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.819014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.819014 (E_RNA)
where:
Base-Base interactions energy: -136.510
where: short stacking energy: -111.309
Base-Backbone interact. energy: 1.686
local terms energy: -236.995174
where:
bonds (distance) C4'-P energy: -77.743
bonds (distance) P-C4' energy: -73.926
flat angles C4'-P-C4' energy: -55.088
flat angles P-C4'-P energy: -40.926
tors. eta vs tors. theta energy: 10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -352.468294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.468294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.468294 (E_RNA)
where:
Base-Base interactions energy: -141.143
where: short stacking energy: -102.576
Base-Backbone interact. energy: 2.262
local terms energy: -213.587071
where:
bonds (distance) C4'-P energy: -57.339
bonds (distance) P-C4' energy: -62.632
flat angles C4'-P-C4' energy: -62.122
flat angles P-C4'-P energy: -34.061
tors. eta vs tors. theta energy: 2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -331.832339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.832339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.832339 (E_RNA)
where:
Base-Base interactions energy: -129.132
where: short stacking energy: -114.356
Base-Backbone interact. energy: 0.548
local terms energy: -203.248559
where:
bonds (distance) C4'-P energy: -50.598
bonds (distance) P-C4' energy: -59.845
flat angles C4'-P-C4' energy: -52.714
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -962.570715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.570715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.570715 (E_RNA)
where:
Base-Base interactions energy: -589.761
where: short stacking energy: -292.916
Base-Backbone interact. energy: -2.556
local terms energy: -370.254120
where:
bonds (distance) C4'-P energy: -83.678
bonds (distance) P-C4' energy: -83.004
flat angles C4'-P-C4' energy: -79.882
flat angles P-C4'-P energy: -48.941
tors. eta vs tors. theta energy: -74.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -938.356847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.356847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.356847 (E_RNA)
where:
Base-Base interactions energy: -553.553
where: short stacking energy: -276.356
Base-Backbone interact. energy: -2.770
local terms energy: -382.034087
where:
bonds (distance) C4'-P energy: -86.131
bonds (distance) P-C4' energy: -78.491
flat angles C4'-P-C4' energy: -85.371
flat angles P-C4'-P energy: -50.175
tors. eta vs tors. theta energy: -81.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -949.966948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.966948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.966948 (E_RNA)
where:
Base-Base interactions energy: -600.926
where: short stacking energy: -272.086
Base-Backbone interact. energy: -1.911
local terms energy: -347.129853
where:
bonds (distance) C4'-P energy: -77.690
bonds (distance) P-C4' energy: -78.418
flat angles C4'-P-C4' energy: -71.607
flat angles P-C4'-P energy: -51.883
tors. eta vs tors. theta energy: -67.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -919.570061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.570061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.570061 (E_RNA)
where:
Base-Base interactions energy: -578.934
where: short stacking energy: -288.568
Base-Backbone interact. energy: -1.838
local terms energy: -338.798508
where:
bonds (distance) C4'-P energy: -68.440
bonds (distance) P-C4' energy: -72.854
flat angles C4'-P-C4' energy: -72.119
flat angles P-C4'-P energy: -49.394
tors. eta vs tors. theta energy: -75.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -622.812928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.812928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.812928 (E_RNA)
where:
Base-Base interactions energy: -337.214
where: short stacking energy: -174.771
Base-Backbone interact. energy: 4.236
local terms energy: -289.834860
where:
bonds (distance) C4'-P energy: -68.138
bonds (distance) P-C4' energy: -77.961
flat angles C4'-P-C4' energy: -73.743
flat angles P-C4'-P energy: -42.762
tors. eta vs tors. theta energy: -27.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -553.794284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.794284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.794284 (E_RNA)
where:
Base-Base interactions energy: -283.942
where: short stacking energy: -161.193
Base-Backbone interact. energy: -0.122
local terms energy: -269.730579
where:
bonds (distance) C4'-P energy: -69.765
bonds (distance) P-C4' energy: -74.913
flat angles C4'-P-C4' energy: -73.608
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -537.882062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.882062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.882062 (E_RNA)
where:
Base-Base interactions energy: -249.696
where: short stacking energy: -151.141
Base-Backbone interact. energy: -3.985
local terms energy: -284.201212
where:
bonds (distance) C4'-P energy: -68.660
bonds (distance) P-C4' energy: -59.918
flat angles C4'-P-C4' energy: -74.158
flat angles P-C4'-P energy: -48.060
tors. eta vs tors. theta energy: -33.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -424.315051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.315051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.315051 (E_RNA)
where:
Base-Base interactions energy: -169.013
where: short stacking energy: -103.864
Base-Backbone interact. energy: -3.102
local terms energy: -252.200053
where:
bonds (distance) C4'-P energy: -69.682
bonds (distance) P-C4' energy: -80.107
flat angles C4'-P-C4' energy: -61.043
flat angles P-C4'-P energy: -36.922
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -338.262843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.262843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.262843 (E_RNA)
where:
Base-Base interactions energy: -114.788
where: short stacking energy: -100.009
Base-Backbone interact. energy: -1.231
local terms energy: -222.243585
where:
bonds (distance) C4'-P energy: -67.047
bonds (distance) P-C4' energy: -78.344
flat angles C4'-P-C4' energy: -51.064
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: 7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -308.758651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.758651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.758651 (E_RNA)
where:
Base-Base interactions energy: -89.441
where: short stacking energy: -71.718
Base-Backbone interact. energy: -1.919
local terms energy: -217.399174
where:
bonds (distance) C4'-P energy: -70.152
bonds (distance) P-C4' energy: -70.820
flat angles C4'-P-C4' energy: -69.575
flat angles P-C4'-P energy: -26.711
tors. eta vs tors. theta energy: 19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -998.125933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.125933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.125933 (E_RNA)
where:
Base-Base interactions energy: -643.697
where: short stacking energy: -300.973
Base-Backbone interact. energy: -2.584
local terms energy: -351.844753
where:
bonds (distance) C4'-P energy: -76.684
bonds (distance) P-C4' energy: -73.444
flat angles C4'-P-C4' energy: -81.200
flat angles P-C4'-P energy: -38.377
tors. eta vs tors. theta energy: -82.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -930.564420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.564420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.564420 (E_RNA)
where:
Base-Base interactions energy: -561.055
where: short stacking energy: -276.321
Base-Backbone interact. energy: -0.680
local terms energy: -368.828911
where:
bonds (distance) C4'-P energy: -74.610
bonds (distance) P-C4' energy: -78.501
flat angles C4'-P-C4' energy: -84.564
flat angles P-C4'-P energy: -53.353
tors. eta vs tors. theta energy: -77.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1018.197582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.197582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.197582 (E_RNA)
where:
Base-Base interactions energy: -644.296
where: short stacking energy: -298.413
Base-Backbone interact. energy: -3.618
local terms energy: -370.283533
where:
bonds (distance) C4'-P energy: -81.031
bonds (distance) P-C4' energy: -78.283
flat angles C4'-P-C4' energy: -73.804
flat angles P-C4'-P energy: -53.331
tors. eta vs tors. theta energy: -83.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -960.452570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.452570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.452570 (E_RNA)
where:
Base-Base interactions energy: -606.077
where: short stacking energy: -298.110
Base-Backbone interact. energy: -0.522
local terms energy: -353.852675
where:
bonds (distance) C4'-P energy: -58.386
bonds (distance) P-C4' energy: -72.104
flat angles C4'-P-C4' energy: -87.695
flat angles P-C4'-P energy: -59.923
tors. eta vs tors. theta energy: -75.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -631.547682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.547682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.547682 (E_RNA)
where:
Base-Base interactions energy: -331.650
where: short stacking energy: -172.551
Base-Backbone interact. energy: -1.751
local terms energy: -298.146824
where:
bonds (distance) C4'-P energy: -65.300
bonds (distance) P-C4' energy: -80.532
flat angles C4'-P-C4' energy: -73.695
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -29.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -520.472809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.472809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.472809 (E_RNA)
where:
Base-Base interactions energy: -237.930
where: short stacking energy: -182.809
Base-Backbone interact. energy: -0.444
local terms energy: -282.098940
where:
bonds (distance) C4'-P energy: -64.677
bonds (distance) P-C4' energy: -78.397
flat angles C4'-P-C4' energy: -71.360
flat angles P-C4'-P energy: -50.671
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -504.341132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.341132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.341132 (E_RNA)
where:
Base-Base interactions energy: -252.474
where: short stacking energy: -142.985
Base-Backbone interact. energy: -5.302
local terms energy: -246.565517
where:
bonds (distance) C4'-P energy: -70.842
bonds (distance) P-C4' energy: -70.189
flat angles C4'-P-C4' energy: -60.269
flat angles P-C4'-P energy: -37.655
tors. eta vs tors. theta energy: -7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -499.516423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.516423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.516423 (E_RNA)
where:
Base-Base interactions energy: -270.787
where: short stacking energy: -147.274
Base-Backbone interact. energy: 3.959
local terms energy: -232.688526
where:
bonds (distance) C4'-P energy: -65.186
bonds (distance) P-C4' energy: -67.705
flat angles C4'-P-C4' energy: -62.344
flat angles P-C4'-P energy: -26.997
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -337.749542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.749542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.749542 (E_RNA)
where:
Base-Base interactions energy: -117.554
where: short stacking energy: -85.327
Base-Backbone interact. energy: 1.601
local terms energy: -221.796582
where:
bonds (distance) C4'-P energy: -67.379
bonds (distance) P-C4' energy: -77.061
flat angles C4'-P-C4' energy: -55.860
flat angles P-C4'-P energy: -33.908
tors. eta vs tors. theta energy: 12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -310.372001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.372001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.372001 (E_RNA)
where:
Base-Base interactions energy: -98.124
where: short stacking energy: -85.681
Base-Backbone interact. energy: 0.139
local terms energy: -212.386994
where:
bonds (distance) C4'-P energy: -54.003
bonds (distance) P-C4' energy: -67.277
flat angles C4'-P-C4' energy: -60.970
flat angles P-C4'-P energy: -35.768
tors. eta vs tors. theta energy: 5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -999.837693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.837693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.837693 (E_RNA)
where:
Base-Base interactions energy: -618.912
where: short stacking energy: -321.801
Base-Backbone interact. energy: -1.641
local terms energy: -379.284975
where:
bonds (distance) C4'-P energy: -71.437
bonds (distance) P-C4' energy: -83.149
flat angles C4'-P-C4' energy: -83.988
flat angles P-C4'-P energy: -54.325
tors. eta vs tors. theta energy: -86.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1020.496936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.496936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.496936 (E_RNA)
where:
Base-Base interactions energy: -656.176
where: short stacking energy: -297.198
Base-Backbone interact. energy: -1.198
local terms energy: -363.123230
where:
bonds (distance) C4'-P energy: -84.630
bonds (distance) P-C4' energy: -83.182
flat angles C4'-P-C4' energy: -82.171
flat angles P-C4'-P energy: -43.299
tors. eta vs tors. theta energy: -69.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -915.010867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.010867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.010867 (E_RNA)
where:
Base-Base interactions energy: -571.168
where: short stacking energy: -261.385
Base-Backbone interact. energy: 0.075
local terms energy: -343.918003
where:
bonds (distance) C4'-P energy: -80.298
bonds (distance) P-C4' energy: -75.414
flat angles C4'-P-C4' energy: -76.815
flat angles P-C4'-P energy: -49.038
tors. eta vs tors. theta energy: -62.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -941.838931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.838931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.838931 (E_RNA)
where:
Base-Base interactions energy: -611.134
where: short stacking energy: -294.867
Base-Backbone interact. energy: -1.644
local terms energy: -329.060441
where:
bonds (distance) C4'-P energy: -73.764
bonds (distance) P-C4' energy: -65.163
flat angles C4'-P-C4' energy: -76.738
flat angles P-C4'-P energy: -39.721
tors. eta vs tors. theta energy: -73.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -668.164090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.164090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.164090 (E_RNA)
where:
Base-Base interactions energy: -374.875
where: short stacking energy: -188.899
Base-Backbone interact. energy: -1.311
local terms energy: -291.977897
where:
bonds (distance) C4'-P energy: -65.196
bonds (distance) P-C4' energy: -72.936
flat angles C4'-P-C4' energy: -70.053
flat angles P-C4'-P energy: -41.815
tors. eta vs tors. theta energy: -41.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -523.631310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.631310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.631310 (E_RNA)
where:
Base-Base interactions energy: -273.001
where: short stacking energy: -170.080
Base-Backbone interact. energy: 2.113
local terms energy: -252.743116
where:
bonds (distance) C4'-P energy: -70.316
bonds (distance) P-C4' energy: -70.044
flat angles C4'-P-C4' energy: -50.183
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -28.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -484.482850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.482850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.482850 (E_RNA)
where:
Base-Base interactions energy: -221.876
where: short stacking energy: -145.902
Base-Backbone interact. energy: -0.599
local terms energy: -262.008377
where:
bonds (distance) C4'-P energy: -70.011
bonds (distance) P-C4' energy: -69.903
flat angles C4'-P-C4' energy: -62.040
flat angles P-C4'-P energy: -38.499
tors. eta vs tors. theta energy: -21.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -504.577759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.577759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.577759 (E_RNA)
where:
Base-Base interactions energy: -250.533
where: short stacking energy: -137.741
Base-Backbone interact. energy: -0.175
local terms energy: -253.870003
where:
bonds (distance) C4'-P energy: -64.364
bonds (distance) P-C4' energy: -64.996
flat angles C4'-P-C4' energy: -66.249
flat angles P-C4'-P energy: -46.502
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -375.298256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.298256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.298256 (E_RNA)
where:
Base-Base interactions energy: -160.378
where: short stacking energy: -135.067
Base-Backbone interact. energy: -1.350
local terms energy: -213.570422
where:
bonds (distance) C4'-P energy: -59.219
bonds (distance) P-C4' energy: -67.817
flat angles C4'-P-C4' energy: -57.052
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: 1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -344.838486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.838486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.838486 (E_RNA)
where:
Base-Base interactions energy: -113.336
where: short stacking energy: -99.713
Base-Backbone interact. energy: -0.751
local terms energy: -230.751993
where:
bonds (distance) C4'-P energy: -58.362
bonds (distance) P-C4' energy: -68.433
flat angles C4'-P-C4' energy: -64.006
flat angles P-C4'-P energy: -40.459
tors. eta vs tors. theta energy: 0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1110.967471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.967471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.967471 (E_RNA)
where:
Base-Base interactions energy: -726.065
where: short stacking energy: -329.713
Base-Backbone interact. energy: 2.569
local terms energy: -387.471313
where:
bonds (distance) C4'-P energy: -79.943
bonds (distance) P-C4' energy: -65.966
flat angles C4'-P-C4' energy: -92.478
flat angles P-C4'-P energy: -55.610
tors. eta vs tors. theta energy: -93.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -986.933271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.933271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.933271 (E_RNA)
where:
Base-Base interactions energy: -620.035
where: short stacking energy: -268.840
Base-Backbone interact. energy: -4.466
local terms energy: -362.432661
where:
bonds (distance) C4'-P energy: -63.812
bonds (distance) P-C4' energy: -83.466
flat angles C4'-P-C4' energy: -84.098
flat angles P-C4'-P energy: -58.331
tors. eta vs tors. theta energy: -72.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -945.970617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.970617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.970617 (E_RNA)
where:
Base-Base interactions energy: -587.633
where: short stacking energy: -273.056
Base-Backbone interact. energy: -1.640
local terms energy: -356.697503
where:
bonds (distance) C4'-P energy: -80.585
bonds (distance) P-C4' energy: -83.456
flat angles C4'-P-C4' energy: -75.675
flat angles P-C4'-P energy: -49.730
tors. eta vs tors. theta energy: -67.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -927.239734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.239734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.239734 (E_RNA)
where:
Base-Base interactions energy: -594.802
where: short stacking energy: -262.406
Base-Backbone interact. energy: -2.459
local terms energy: -329.979385
where:
bonds (distance) C4'-P energy: -70.043
bonds (distance) P-C4' energy: -75.287
flat angles C4'-P-C4' energy: -84.368
flat angles P-C4'-P energy: -48.144
tors. eta vs tors. theta energy: -52.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -683.046552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.046552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.046552 (E_RNA)
where:
Base-Base interactions energy: -385.689
where: short stacking energy: -184.170
Base-Backbone interact. energy: -1.343
local terms energy: -296.014175
where:
bonds (distance) C4'-P energy: -73.793
bonds (distance) P-C4' energy: -84.899
flat angles C4'-P-C4' energy: -66.583
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: -36.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -542.136729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.136729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.136729 (E_RNA)
where:
Base-Base interactions energy: -258.805
where: short stacking energy: -163.237
Base-Backbone interact. energy: -0.078
local terms energy: -283.254099
where:
bonds (distance) C4'-P energy: -55.660
bonds (distance) P-C4' energy: -57.452
flat angles C4'-P-C4' energy: -82.791
flat angles P-C4'-P energy: -54.449
tors. eta vs tors. theta energy: -32.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -490.149338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.149338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.149338 (E_RNA)
where:
Base-Base interactions energy: -238.231
where: short stacking energy: -125.704
Base-Backbone interact. energy: -2.160
local terms energy: -249.758217
where:
bonds (distance) C4'-P energy: -70.403
bonds (distance) P-C4' energy: -69.344
flat angles C4'-P-C4' energy: -67.757
flat angles P-C4'-P energy: -42.925
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -462.711386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.711386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.711386 (E_RNA)
where:
Base-Base interactions energy: -203.033
where: short stacking energy: -122.544
Base-Backbone interact. energy: 1.432
local terms energy: -261.110918
where:
bonds (distance) C4'-P energy: -52.941
bonds (distance) P-C4' energy: -88.372
flat angles C4'-P-C4' energy: -66.738
flat angles P-C4'-P energy: -50.012
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -341.842038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.842038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.842038 (E_RNA)
where:
Base-Base interactions energy: -120.113
where: short stacking energy: -81.750
Base-Backbone interact. energy: 2.127
local terms energy: -223.855383
where:
bonds (distance) C4'-P energy: -69.408
bonds (distance) P-C4' energy: -74.864
flat angles C4'-P-C4' energy: -50.789
flat angles P-C4'-P energy: -36.665
tors. eta vs tors. theta energy: 7.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -336.300818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.300818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.300818 (E_RNA)
where:
Base-Base interactions energy: -132.620
where: short stacking energy: -107.669
Base-Backbone interact. energy: -2.364
local terms energy: -201.316263
where:
bonds (distance) C4'-P energy: -57.613
bonds (distance) P-C4' energy: -63.299
flat angles C4'-P-C4' energy: -61.352
flat angles P-C4'-P energy: -21.521
tors. eta vs tors. theta energy: 2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1146.026176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.026176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.026176 (E_RNA)
where:
Base-Base interactions energy: -744.300
where: short stacking energy: -336.569
Base-Backbone interact. energy: 5.000
local terms energy: -406.726181
where:
bonds (distance) C4'-P energy: -85.155
bonds (distance) P-C4' energy: -86.178
flat angles C4'-P-C4' energy: -83.153
flat angles P-C4'-P energy: -54.330
tors. eta vs tors. theta energy: -97.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1048.126038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.126038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.126038 (E_RNA)
where:
Base-Base interactions energy: -681.524
where: short stacking energy: -289.368
Base-Backbone interact. energy: -3.170
local terms energy: -363.432378
where:
bonds (distance) C4'-P energy: -68.903
bonds (distance) P-C4' energy: -82.837
flat angles C4'-P-C4' energy: -81.048
flat angles P-C4'-P energy: -51.925
tors. eta vs tors. theta energy: -78.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -988.830542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.830542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.830542 (E_RNA)
where:
Base-Base interactions energy: -634.917
where: short stacking energy: -308.633
Base-Backbone interact. energy: -1.748
local terms energy: -352.165605
where:
bonds (distance) C4'-P energy: -71.836
bonds (distance) P-C4' energy: -76.143
flat angles C4'-P-C4' energy: -76.738
flat angles P-C4'-P energy: -50.477
tors. eta vs tors. theta energy: -76.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -993.849141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.849141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.849141 (E_RNA)
where:
Base-Base interactions energy: -659.138
where: short stacking energy: -289.898
Base-Backbone interact. energy: -2.394
local terms energy: -332.317932
where:
bonds (distance) C4'-P energy: -71.570
bonds (distance) P-C4' energy: -61.790
flat angles C4'-P-C4' energy: -79.924
flat angles P-C4'-P energy: -47.712
tors. eta vs tors. theta energy: -71.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -667.900696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.900696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.900696 (E_RNA)
where:
Base-Base interactions energy: -372.036
where: short stacking energy: -188.104
Base-Backbone interact. energy: -0.628
local terms energy: -295.236396
where:
bonds (distance) C4'-P energy: -74.872
bonds (distance) P-C4' energy: -74.698
flat angles C4'-P-C4' energy: -77.722
flat angles P-C4'-P energy: -39.843
tors. eta vs tors. theta energy: -28.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -497.877599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.877599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.877599 (E_RNA)
where:
Base-Base interactions energy: -232.832
where: short stacking energy: -154.777
Base-Backbone interact. energy: -3.091
local terms energy: -261.954199
where:
bonds (distance) C4'-P energy: -57.167
bonds (distance) P-C4' energy: -74.310
flat angles C4'-P-C4' energy: -58.490
flat angles P-C4'-P energy: -50.335
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -542.993626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.993626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.993626 (E_RNA)
where:
Base-Base interactions energy: -286.968
where: short stacking energy: -117.594
Base-Backbone interact. energy: 0.012
local terms energy: -256.036881
where:
bonds (distance) C4'-P energy: -65.310
bonds (distance) P-C4' energy: -63.599
flat angles C4'-P-C4' energy: -78.922
flat angles P-C4'-P energy: -37.153
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -415.963500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.963500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.963500 (E_RNA)
where:
Base-Base interactions energy: -184.524
where: short stacking energy: -119.489
Base-Backbone interact. energy: 0.390
local terms energy: -231.830258
where:
bonds (distance) C4'-P energy: -62.628
bonds (distance) P-C4' energy: -75.477
flat angles C4'-P-C4' energy: -66.116
flat angles P-C4'-P energy: -30.684
tors. eta vs tors. theta energy: 3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -358.292749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.292749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.292749 (E_RNA)
where:
Base-Base interactions energy: -146.888
where: short stacking energy: -113.848
Base-Backbone interact. energy: 1.702
local terms energy: -213.107083
where:
bonds (distance) C4'-P energy: -47.176
bonds (distance) P-C4' energy: -73.066
flat angles C4'-P-C4' energy: -56.921
flat angles P-C4'-P energy: -37.855
tors. eta vs tors. theta energy: 1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -305.429975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.429975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.429975 (E_RNA)
where:
Base-Base interactions energy: -96.250
where: short stacking energy: -71.774
Base-Backbone interact. energy: 1.415
local terms energy: -210.594822
where:
bonds (distance) C4'-P energy: -71.310
bonds (distance) P-C4' energy: -75.479
flat angles C4'-P-C4' energy: -64.869
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: 19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1167.149831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.149831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.149831 (E_RNA)
where:
Base-Base interactions energy: -772.754
where: short stacking energy: -325.734
Base-Backbone interact. energy: -1.961
local terms energy: -392.435475
where:
bonds (distance) C4'-P energy: -78.992
bonds (distance) P-C4' energy: -76.765
flat angles C4'-P-C4' energy: -86.146
flat angles P-C4'-P energy: -60.578
tors. eta vs tors. theta energy: -89.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1018.446321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.446321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.446321 (E_RNA)
where:
Base-Base interactions energy: -644.928
where: short stacking energy: -301.328
Base-Backbone interact. energy: 0.362
local terms energy: -373.879726
where:
bonds (distance) C4'-P energy: -85.414
bonds (distance) P-C4' energy: -74.205
flat angles C4'-P-C4' energy: -83.065
flat angles P-C4'-P energy: -52.041
tors. eta vs tors. theta energy: -79.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1029.351846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.351846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.351846 (E_RNA)
where:
Base-Base interactions energy: -674.054
where: short stacking energy: -289.420
Base-Backbone interact. energy: -3.244
local terms energy: -352.054293
where:
bonds (distance) C4'-P energy: -57.520
bonds (distance) P-C4' energy: -85.479
flat angles C4'-P-C4' energy: -78.565
flat angles P-C4'-P energy: -54.782
tors. eta vs tors. theta energy: -75.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -906.036367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.036367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.036367 (E_RNA)
where:
Base-Base interactions energy: -570.242
where: short stacking energy: -272.023
Base-Backbone interact. energy: -2.412
local terms energy: -333.382255
where:
bonds (distance) C4'-P energy: -74.958
bonds (distance) P-C4' energy: -65.942
flat angles C4'-P-C4' energy: -74.712
flat angles P-C4'-P energy: -52.059
tors. eta vs tors. theta energy: -65.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -699.673385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.673385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.673385 (E_RNA)
where:
Base-Base interactions energy: -394.588
where: short stacking energy: -210.690
Base-Backbone interact. energy: -2.236
local terms energy: -302.849196
where:
bonds (distance) C4'-P energy: -65.611
bonds (distance) P-C4' energy: -76.567
flat angles C4'-P-C4' energy: -80.766
flat angles P-C4'-P energy: -36.867
tors. eta vs tors. theta energy: -43.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -515.865586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.865586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.865586 (E_RNA)
where:
Base-Base interactions energy: -237.256
where: short stacking energy: -148.405
Base-Backbone interact. energy: -2.513
local terms energy: -276.095793
where:
bonds (distance) C4'-P energy: -79.656
bonds (distance) P-C4' energy: -72.866
flat angles C4'-P-C4' energy: -64.959
flat angles P-C4'-P energy: -44.364
tors. eta vs tors. theta energy: -14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -592.240442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.240442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.240442 (E_RNA)
where:
Base-Base interactions energy: -312.172
where: short stacking energy: -157.868
Base-Backbone interact. energy: 1.884
local terms energy: -281.952823
where:
bonds (distance) C4'-P energy: -69.584
bonds (distance) P-C4' energy: -67.539
flat angles C4'-P-C4' energy: -75.757
flat angles P-C4'-P energy: -46.596
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -444.974837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.974837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.974837 (E_RNA)
where:
Base-Base interactions energy: -203.984
where: short stacking energy: -115.969
Base-Backbone interact. energy: -1.334
local terms energy: -239.656367
where:
bonds (distance) C4'-P energy: -58.432
bonds (distance) P-C4' energy: -69.618
flat angles C4'-P-C4' energy: -62.877
flat angles P-C4'-P energy: -40.684
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -344.659867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.659867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.659867 (E_RNA)
where:
Base-Base interactions energy: -118.304
where: short stacking energy: -93.426
Base-Backbone interact. energy: 0.423
local terms energy: -226.778488
where:
bonds (distance) C4'-P energy: -78.596
bonds (distance) P-C4' energy: -69.791
flat angles C4'-P-C4' energy: -51.969
flat angles P-C4'-P energy: -31.130
tors. eta vs tors. theta energy: 4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -347.091339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.091339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.091339 (E_RNA)
where:
Base-Base interactions energy: -140.520
where: short stacking energy: -119.921
Base-Backbone interact. energy: 0.270
local terms energy: -206.840618
where:
bonds (distance) C4'-P energy: -57.341
bonds (distance) P-C4' energy: -77.966
flat angles C4'-P-C4' energy: -55.577
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: 0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1188.861217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.861217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.861217 (E_RNA)
where:
Base-Base interactions energy: -796.968
where: short stacking energy: -331.201
Base-Backbone interact. energy: 0.121
local terms energy: -392.013753
where:
bonds (distance) C4'-P energy: -77.486
bonds (distance) P-C4' energy: -76.938
flat angles C4'-P-C4' energy: -88.047
flat angles P-C4'-P energy: -61.172
tors. eta vs tors. theta energy: -88.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1059.352817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.352817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.352817 (E_RNA)
where:
Base-Base interactions energy: -685.187
where: short stacking energy: -293.192
Base-Backbone interact. energy: -0.772
local terms energy: -373.394103
where:
bonds (distance) C4'-P energy: -67.568
bonds (distance) P-C4' energy: -86.632
flat angles C4'-P-C4' energy: -87.259
flat angles P-C4'-P energy: -53.808
tors. eta vs tors. theta energy: -78.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1068.125199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.125199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.125199 (E_RNA)
where:
Base-Base interactions energy: -672.020
where: short stacking energy: -316.241
Base-Backbone interact. energy: -2.227
local terms energy: -393.878174
where:
bonds (distance) C4'-P energy: -83.192
bonds (distance) P-C4' energy: -83.744
flat angles C4'-P-C4' energy: -78.267
flat angles P-C4'-P energy: -55.159
tors. eta vs tors. theta energy: -93.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -903.345053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.345053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.345053 (E_RNA)
where:
Base-Base interactions energy: -545.471
where: short stacking energy: -251.513
Base-Backbone interact. energy: -1.448
local terms energy: -356.426227
where:
bonds (distance) C4'-P energy: -81.088
bonds (distance) P-C4' energy: -72.405
flat angles C4'-P-C4' energy: -77.247
flat angles P-C4'-P energy: -57.318
tors. eta vs tors. theta energy: -68.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -752.815473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.815473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.815473 (E_RNA)
where:
Base-Base interactions energy: -462.331
where: short stacking energy: -191.879
Base-Backbone interact. energy: 1.293
local terms energy: -291.777175
where:
bonds (distance) C4'-P energy: -66.893
bonds (distance) P-C4' energy: -74.763
flat angles C4'-P-C4' energy: -65.685
flat angles P-C4'-P energy: -35.053
tors. eta vs tors. theta energy: -49.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -574.100044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.100044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.100044 (E_RNA)
where:
Base-Base interactions energy: -313.424
where: short stacking energy: -172.870
Base-Backbone interact. energy: -1.975
local terms energy: -258.700971
where:
bonds (distance) C4'-P energy: -65.152
bonds (distance) P-C4' energy: -76.564
flat angles C4'-P-C4' energy: -72.851
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -451.401783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.401783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.401783 (E_RNA)
where:
Base-Base interactions energy: -208.829
where: short stacking energy: -149.076
Base-Backbone interact. energy: 0.479
local terms energy: -243.051649
where:
bonds (distance) C4'-P energy: -69.647
bonds (distance) P-C4' energy: -70.060
flat angles C4'-P-C4' energy: -62.566
flat angles P-C4'-P energy: -28.884
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -514.422287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.422287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.422287 (E_RNA)
where:
Base-Base interactions energy: -280.545
where: short stacking energy: -148.542
Base-Backbone interact. energy: -3.737
local terms energy: -230.140033
where:
bonds (distance) C4'-P energy: -58.509
bonds (distance) P-C4' energy: -62.031
flat angles C4'-P-C4' energy: -46.763
flat angles P-C4'-P energy: -47.043
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -363.445005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.445005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.445005 (E_RNA)
where:
Base-Base interactions energy: -142.870
where: short stacking energy: -109.214
Base-Backbone interact. energy: -3.634
local terms energy: -216.941135
where:
bonds (distance) C4'-P energy: -73.320
bonds (distance) P-C4' energy: -72.329
flat angles C4'-P-C4' energy: -40.754
flat angles P-C4'-P energy: -33.616
tors. eta vs tors. theta energy: 3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -337.550530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.550530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.550530 (E_RNA)
where:
Base-Base interactions energy: -132.756
where: short stacking energy: -96.752
Base-Backbone interact. energy: 3.676
local terms energy: -208.469903
where:
bonds (distance) C4'-P energy: -63.533
bonds (distance) P-C4' energy: -67.274
flat angles C4'-P-C4' energy: -69.660
flat angles P-C4'-P energy: -22.397
tors. eta vs tors. theta energy: 14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1161.888773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.888773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.888773 (E_RNA)
where:
Base-Base interactions energy: -780.495
where: short stacking energy: -328.523
Base-Backbone interact. energy: -0.268
local terms energy: -381.125240
where:
bonds (distance) C4'-P energy: -79.843
bonds (distance) P-C4' energy: -71.890
flat angles C4'-P-C4' energy: -85.680
flat angles P-C4'-P energy: -58.731
tors. eta vs tors. theta energy: -84.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1047.558355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.558355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.558355 (E_RNA)
where:
Base-Base interactions energy: -678.343
where: short stacking energy: -305.739
Base-Backbone interact. energy: -1.159
local terms energy: -368.056306
where:
bonds (distance) C4'-P energy: -72.982
bonds (distance) P-C4' energy: -86.266
flat angles C4'-P-C4' energy: -80.123
flat angles P-C4'-P energy: -54.529
tors. eta vs tors. theta energy: -74.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1094.441975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.441975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.441975 (E_RNA)
where:
Base-Base interactions energy: -694.203
where: short stacking energy: -331.554
Base-Backbone interact. energy: -2.949
local terms energy: -397.290522
where:
bonds (distance) C4'-P energy: -72.460
bonds (distance) P-C4' energy: -80.069
flat angles C4'-P-C4' energy: -92.313
flat angles P-C4'-P energy: -58.883
tors. eta vs tors. theta energy: -93.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -896.857613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.857613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.857613 (E_RNA)
where:
Base-Base interactions energy: -580.764
where: short stacking energy: -262.384
Base-Backbone interact. energy: -2.776
local terms energy: -313.317910
where:
bonds (distance) C4'-P energy: -65.887
bonds (distance) P-C4' energy: -81.845
flat angles C4'-P-C4' energy: -59.394
flat angles P-C4'-P energy: -41.812
tors. eta vs tors. theta energy: -64.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -755.939225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.939225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.939225 (E_RNA)
where:
Base-Base interactions energy: -463.818
where: short stacking energy: -185.878
Base-Backbone interact. energy: -1.546
local terms energy: -290.575213
where:
bonds (distance) C4'-P energy: -80.530
bonds (distance) P-C4' energy: -74.778
flat angles C4'-P-C4' energy: -65.412
flat angles P-C4'-P energy: -48.072
tors. eta vs tors. theta energy: -21.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -593.971650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.971650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.971650 (E_RNA)
where:
Base-Base interactions energy: -320.470
where: short stacking energy: -175.254
Base-Backbone interact. energy: -1.354
local terms energy: -272.147758
where:
bonds (distance) C4'-P energy: -67.487
bonds (distance) P-C4' energy: -75.116
flat angles C4'-P-C4' energy: -65.435
flat angles P-C4'-P energy: -45.702
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -505.316741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.316741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.316741 (E_RNA)
where:
Base-Base interactions energy: -235.510
where: short stacking energy: -133.114
Base-Backbone interact. energy: -0.180
local terms energy: -269.626660
where:
bonds (distance) C4'-P energy: -59.645
bonds (distance) P-C4' energy: -85.691
flat angles C4'-P-C4' energy: -69.533
flat angles P-C4'-P energy: -42.394
tors. eta vs tors. theta energy: -12.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -447.541863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.541863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.541863 (E_RNA)
where:
Base-Base interactions energy: -209.565
where: short stacking energy: -134.393
Base-Backbone interact. energy: 0.296
local terms energy: -238.272228
where:
bonds (distance) C4'-P energy: -80.419
bonds (distance) P-C4' energy: -54.630
flat angles C4'-P-C4' energy: -64.765
flat angles P-C4'-P energy: -32.829
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -380.416892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.416892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.416892 (E_RNA)
where:
Base-Base interactions energy: -167.904
where: short stacking energy: -101.767
Base-Backbone interact. energy: 2.411
local terms energy: -214.924759
where:
bonds (distance) C4'-P energy: -59.160
bonds (distance) P-C4' energy: -65.098
flat angles C4'-P-C4' energy: -47.039
flat angles P-C4'-P energy: -38.485
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -328.601913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.601913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.601913 (E_RNA)
where:
Base-Base interactions energy: -123.559
where: short stacking energy: -74.924
Base-Backbone interact. energy: 2.535
local terms energy: -207.577263
where:
bonds (distance) C4'-P energy: -65.823
bonds (distance) P-C4' energy: -67.109
flat angles C4'-P-C4' energy: -58.312
flat angles P-C4'-P energy: -33.195
tors. eta vs tors. theta energy: 16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1141.761949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.761949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.761949 (E_RNA)
where:
Base-Base interactions energy: -749.799
where: short stacking energy: -333.572
Base-Backbone interact. energy: -2.647
local terms energy: -389.316250
where:
bonds (distance) C4'-P energy: -71.940
bonds (distance) P-C4' energy: -77.991
flat angles C4'-P-C4' energy: -92.639
flat angles P-C4'-P energy: -58.440
tors. eta vs tors. theta energy: -88.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1114.203295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.203295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.203295 (E_RNA)
where:
Base-Base interactions energy: -718.372
where: short stacking energy: -332.507
Base-Backbone interact. energy: -2.429
local terms energy: -393.403057
where:
bonds (distance) C4'-P energy: -82.116
bonds (distance) P-C4' energy: -78.987
flat angles C4'-P-C4' energy: -74.761
flat angles P-C4'-P energy: -60.345
tors. eta vs tors. theta energy: -97.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1009.222724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.222724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.222724 (E_RNA)
where:
Base-Base interactions energy: -681.078
where: short stacking energy: -281.875
Base-Backbone interact. energy: 1.518
local terms energy: -329.662161
where:
bonds (distance) C4'-P energy: -73.655
bonds (distance) P-C4' energy: -71.113
flat angles C4'-P-C4' energy: -74.846
flat angles P-C4'-P energy: -40.265
tors. eta vs tors. theta energy: -69.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -903.766232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.766232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.766232 (E_RNA)
where:
Base-Base interactions energy: -524.508
where: short stacking energy: -285.664
Base-Backbone interact. energy: -1.267
local terms energy: -377.991867
where:
bonds (distance) C4'-P energy: -74.706
bonds (distance) P-C4' energy: -71.463
flat angles C4'-P-C4' energy: -86.390
flat angles P-C4'-P energy: -59.180
tors. eta vs tors. theta energy: -86.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -798.402327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.402327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.402327 (E_RNA)
where:
Base-Base interactions energy: -470.628
where: short stacking energy: -237.851
Base-Backbone interact. energy: -1.326
local terms energy: -326.448453
where:
bonds (distance) C4'-P energy: -71.569
bonds (distance) P-C4' energy: -78.033
flat angles C4'-P-C4' energy: -76.989
flat angles P-C4'-P energy: -45.776
tors. eta vs tors. theta energy: -54.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -677.244040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.244040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.244040 (E_RNA)
where:
Base-Base interactions energy: -386.566
where: short stacking energy: -207.195
Base-Backbone interact. energy: -0.537
local terms energy: -290.140671
where:
bonds (distance) C4'-P energy: -70.037
bonds (distance) P-C4' energy: -77.746
flat angles C4'-P-C4' energy: -69.590
flat angles P-C4'-P energy: -38.719
tors. eta vs tors. theta energy: -34.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -532.139922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.139922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.139922 (E_RNA)
where:
Base-Base interactions energy: -256.342
where: short stacking energy: -153.950
Base-Backbone interact. energy: -0.079
local terms energy: -275.718874
where:
bonds (distance) C4'-P energy: -75.743
bonds (distance) P-C4' energy: -68.948
flat angles C4'-P-C4' energy: -60.343
flat angles P-C4'-P energy: -44.403
tors. eta vs tors. theta energy: -26.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -433.492202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.492202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.492202 (E_RNA)
where:
Base-Base interactions energy: -212.004
where: short stacking energy: -112.657
Base-Backbone interact. energy: -1.938
local terms energy: -219.549727
where:
bonds (distance) C4'-P energy: -66.807
bonds (distance) P-C4' energy: -70.222
flat angles C4'-P-C4' energy: -51.599
flat angles P-C4'-P energy: -33.239
tors. eta vs tors. theta energy: 2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -318.748223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.748223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.748223 (E_RNA)
where:
Base-Base interactions energy: -106.846
where: short stacking energy: -85.680
Base-Backbone interact. energy: -0.840
local terms energy: -211.061909
where:
bonds (distance) C4'-P energy: -63.266
bonds (distance) P-C4' energy: -77.701
flat angles C4'-P-C4' energy: -60.973
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: 9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -316.127906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.127906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.127906 (E_RNA)
where:
Base-Base interactions energy: -116.689
where: short stacking energy: -103.699
Base-Backbone interact. energy: 1.545
local terms energy: -200.983657
where:
bonds (distance) C4'-P energy: -49.295
bonds (distance) P-C4' energy: -63.012
flat angles C4'-P-C4' energy: -60.948
flat angles P-C4'-P energy: -26.877
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1171.240474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.240474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.240474 (E_RNA)
where:
Base-Base interactions energy: -778.462
where: short stacking energy: -345.182
Base-Backbone interact. energy: -2.882
local terms energy: -389.896517
where:
bonds (distance) C4'-P energy: -67.131
bonds (distance) P-C4' energy: -86.510
flat angles C4'-P-C4' energy: -83.038
flat angles P-C4'-P energy: -54.199
tors. eta vs tors. theta energy: -99.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1086.547843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.547843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.547843 (E_RNA)
where:
Base-Base interactions energy: -694.520
where: short stacking energy: -324.263
Base-Backbone interact. energy: 2.667
local terms energy: -394.694673
where:
bonds (distance) C4'-P energy: -78.911
bonds (distance) P-C4' energy: -82.596
flat angles C4'-P-C4' energy: -76.656
flat angles P-C4'-P energy: -58.405
tors. eta vs tors. theta energy: -98.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1050.458883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.458883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.458883 (E_RNA)
where:
Base-Base interactions energy: -681.835
where: short stacking energy: -289.045
Base-Backbone interact. energy: -3.079
local terms energy: -365.545013
where:
bonds (distance) C4'-P energy: -66.459
bonds (distance) P-C4' energy: -80.687
flat angles C4'-P-C4' energy: -83.113
flat angles P-C4'-P energy: -51.671
tors. eta vs tors. theta energy: -83.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -885.928404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.928404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.928404 (E_RNA)
where:
Base-Base interactions energy: -544.661
where: short stacking energy: -273.559
Base-Backbone interact. energy: -0.759
local terms energy: -340.508074
where:
bonds (distance) C4'-P energy: -70.924
bonds (distance) P-C4' energy: -75.132
flat angles C4'-P-C4' energy: -78.364
flat angles P-C4'-P energy: -39.416
tors. eta vs tors. theta energy: -76.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -837.862112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.862112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.862112 (E_RNA)
where:
Base-Base interactions energy: -541.238
where: short stacking energy: -254.605
Base-Backbone interact. energy: -2.157
local terms energy: -294.467272
where:
bonds (distance) C4'-P energy: -68.371
bonds (distance) P-C4' energy: -72.075
flat angles C4'-P-C4' energy: -62.746
flat angles P-C4'-P energy: -43.862
tors. eta vs tors. theta energy: -47.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -650.306348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.306348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.306348 (E_RNA)
where:
Base-Base interactions energy: -363.954
where: short stacking energy: -193.194
Base-Backbone interact. energy: 1.830
local terms energy: -288.183003
where:
bonds (distance) C4'-P energy: -78.014
bonds (distance) P-C4' energy: -66.368
flat angles C4'-P-C4' energy: -63.646
flat angles P-C4'-P energy: -41.700
tors. eta vs tors. theta energy: -38.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -636.018421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.018421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.018421 (E_RNA)
where:
Base-Base interactions energy: -348.279
where: short stacking energy: -184.794
Base-Backbone interact. energy: -0.671
local terms energy: -287.068079
where:
bonds (distance) C4'-P energy: -72.332
bonds (distance) P-C4' energy: -71.450
flat angles C4'-P-C4' energy: -55.061
flat angles P-C4'-P energy: -47.924
tors. eta vs tors. theta energy: -40.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -419.745260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.745260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.745260 (E_RNA)
where:
Base-Base interactions energy: -183.483
where: short stacking energy: -112.988
Base-Backbone interact. energy: 5.544
local terms energy: -241.806765
where:
bonds (distance) C4'-P energy: -63.623
bonds (distance) P-C4' energy: -74.528
flat angles C4'-P-C4' energy: -58.766
flat angles P-C4'-P energy: -41.467
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -348.454812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.454812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.454812 (E_RNA)
where:
Base-Base interactions energy: -119.993
where: short stacking energy: -105.577
Base-Backbone interact. energy: -0.095
local terms energy: -228.366360
where:
bonds (distance) C4'-P energy: -52.019
bonds (distance) P-C4' energy: -67.700
flat angles C4'-P-C4' energy: -69.870
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -323.761055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.761055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.761055 (E_RNA)
where:
Base-Base interactions energy: -115.039
where: short stacking energy: -70.404
Base-Backbone interact. energy: 1.579
local terms energy: -210.301164
where:
bonds (distance) C4'-P energy: -60.468
bonds (distance) P-C4' energy: -72.443
flat angles C4'-P-C4' energy: -66.404
flat angles P-C4'-P energy: -32.581
tors. eta vs tors. theta energy: 21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1185.611825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.611825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.611825 (E_RNA)
where:
Base-Base interactions energy: -779.101
where: short stacking energy: -340.161
Base-Backbone interact. energy: 1.521
local terms energy: -408.031756
where:
bonds (distance) C4'-P energy: -83.276
bonds (distance) P-C4' energy: -85.595
flat angles C4'-P-C4' energy: -88.425
flat angles P-C4'-P energy: -58.875
tors. eta vs tors. theta energy: -91.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1050.909347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.909347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.909347 (E_RNA)
where:
Base-Base interactions energy: -685.899
where: short stacking energy: -317.485
Base-Backbone interact. energy: -1.313
local terms energy: -363.697147
where:
bonds (distance) C4'-P energy: -66.277
bonds (distance) P-C4' energy: -75.612
flat angles C4'-P-C4' energy: -81.110
flat angles P-C4'-P energy: -54.656
tors. eta vs tors. theta energy: -86.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1077.567489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.567489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.567489 (E_RNA)
where:
Base-Base interactions energy: -700.341
where: short stacking energy: -341.277
Base-Backbone interact. energy: -0.575
local terms energy: -376.651525
where:
bonds (distance) C4'-P energy: -57.721
bonds (distance) P-C4' energy: -81.911
flat angles C4'-P-C4' energy: -84.454
flat angles P-C4'-P energy: -61.626
tors. eta vs tors. theta energy: -90.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -863.972625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.972625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.972625 (E_RNA)
where:
Base-Base interactions energy: -521.101
where: short stacking energy: -250.725
Base-Backbone interact. energy: -2.869
local terms energy: -340.002400
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -80.286
flat angles C4'-P-C4' energy: -80.648
flat angles P-C4'-P energy: -51.123
tors. eta vs tors. theta energy: -55.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -788.062855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.062855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.062855 (E_RNA)
where:
Base-Base interactions energy: -479.381
where: short stacking energy: -265.073
Base-Backbone interact. energy: -0.843
local terms energy: -307.838525
where:
bonds (distance) C4'-P energy: -58.801
bonds (distance) P-C4' energy: -64.342
flat angles C4'-P-C4' energy: -66.850
flat angles P-C4'-P energy: -54.454
tors. eta vs tors. theta energy: -63.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -672.650245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.650245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.650245 (E_RNA)
where:
Base-Base interactions energy: -364.280
where: short stacking energy: -197.817
Base-Backbone interact. energy: -1.184
local terms energy: -307.186458
where:
bonds (distance) C4'-P energy: -71.533
bonds (distance) P-C4' energy: -74.266
flat angles C4'-P-C4' energy: -72.102
flat angles P-C4'-P energy: -42.125
tors. eta vs tors. theta energy: -47.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -576.483587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.483587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.483587 (E_RNA)
where:
Base-Base interactions energy: -309.794
where: short stacking energy: -157.279
Base-Backbone interact. energy: -0.417
local terms energy: -266.272523
where:
bonds (distance) C4'-P energy: -56.057
bonds (distance) P-C4' energy: -65.941
flat angles C4'-P-C4' energy: -70.684
flat angles P-C4'-P energy: -46.752
tors. eta vs tors. theta energy: -26.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -459.150322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.150322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.150322 (E_RNA)
where:
Base-Base interactions energy: -231.977
where: short stacking energy: -138.042
Base-Backbone interact. energy: -0.709
local terms energy: -226.464662
where:
bonds (distance) C4'-P energy: -71.017
bonds (distance) P-C4' energy: -72.009
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -35.657
tors. eta vs tors. theta energy: 5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -358.572055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.572055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.572055 (E_RNA)
where:
Base-Base interactions energy: -160.626
where: short stacking energy: -97.656
Base-Backbone interact. energy: -1.012
local terms energy: -196.934309
where:
bonds (distance) C4'-P energy: -51.160
bonds (distance) P-C4' energy: -66.632
flat angles C4'-P-C4' energy: -54.098
flat angles P-C4'-P energy: -29.898
tors. eta vs tors. theta energy: 4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -321.568349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.568349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.568349 (E_RNA)
where:
Base-Base interactions energy: -121.836
where: short stacking energy: -97.151
Base-Backbone interact. energy: 1.613
local terms energy: -201.344704
where:
bonds (distance) C4'-P energy: -70.464
bonds (distance) P-C4' energy: -55.409
flat angles C4'-P-C4' energy: -65.802
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: 5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1182.434814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.434814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.434814 (E_RNA)
where:
Base-Base interactions energy: -808.534
where: short stacking energy: -344.416
Base-Backbone interact. energy: -1.508
local terms energy: -372.393398
where:
bonds (distance) C4'-P energy: -73.272
bonds (distance) P-C4' energy: -76.703
flat angles C4'-P-C4' energy: -88.167
flat angles P-C4'-P energy: -51.235
tors. eta vs tors. theta energy: -83.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1052.067718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.067718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.067718 (E_RNA)
where:
Base-Base interactions energy: -663.787
where: short stacking energy: -304.981
Base-Backbone interact. energy: -1.077
local terms energy: -387.202854
where:
bonds (distance) C4'-P energy: -72.534
bonds (distance) P-C4' energy: -83.890
flat angles C4'-P-C4' energy: -92.050
flat angles P-C4'-P energy: -53.236
tors. eta vs tors. theta energy: -85.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1058.679073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.679073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.679073 (E_RNA)
where:
Base-Base interactions energy: -680.261
where: short stacking energy: -319.682
Base-Backbone interact. energy: -1.214
local terms energy: -377.204419
where:
bonds (distance) C4'-P energy: -81.498
bonds (distance) P-C4' energy: -79.969
flat angles C4'-P-C4' energy: -67.816
flat angles P-C4'-P energy: -62.630
tors. eta vs tors. theta energy: -85.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -875.912011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.912011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.912011 (E_RNA)
where:
Base-Base interactions energy: -537.426
where: short stacking energy: -261.379
Base-Backbone interact. energy: -1.271
local terms energy: -337.214811
where:
bonds (distance) C4'-P energy: -57.518
bonds (distance) P-C4' energy: -68.829
flat angles C4'-P-C4' energy: -80.643
flat angles P-C4'-P energy: -61.062
tors. eta vs tors. theta energy: -69.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -796.847564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.847564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.847564 (E_RNA)
where:
Base-Base interactions energy: -461.868
where: short stacking energy: -219.552
Base-Backbone interact. energy: -0.607
local terms energy: -334.372065
where:
bonds (distance) C4'-P energy: -73.193
bonds (distance) P-C4' energy: -76.221
flat angles C4'-P-C4' energy: -78.863
flat angles P-C4'-P energy: -58.803
tors. eta vs tors. theta energy: -47.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -673.102623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.102623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.102623 (E_RNA)
where:
Base-Base interactions energy: -363.687
where: short stacking energy: -198.392
Base-Backbone interact. energy: 0.302
local terms energy: -309.717539
where:
bonds (distance) C4'-P energy: -79.914
bonds (distance) P-C4' energy: -81.276
flat angles C4'-P-C4' energy: -63.700
flat angles P-C4'-P energy: -34.698
tors. eta vs tors. theta energy: -50.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -559.190212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.190212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.190212 (E_RNA)
where:
Base-Base interactions energy: -292.654
where: short stacking energy: -137.407
Base-Backbone interact. energy: 0.329
local terms energy: -266.865845
where:
bonds (distance) C4'-P energy: -74.040
bonds (distance) P-C4' energy: -70.676
flat angles C4'-P-C4' energy: -65.580
flat angles P-C4'-P energy: -43.325
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -498.775509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.775509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.775509 (E_RNA)
where:
Base-Base interactions energy: -261.763
where: short stacking energy: -146.515
Base-Backbone interact. energy: -0.232
local terms energy: -236.781077
where:
bonds (distance) C4'-P energy: -57.798
bonds (distance) P-C4' energy: -68.969
flat angles C4'-P-C4' energy: -65.390
flat angles P-C4'-P energy: -48.376
tors. eta vs tors. theta energy: 3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -348.369575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.369575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.369575 (E_RNA)
where:
Base-Base interactions energy: -138.757
where: short stacking energy: -104.042
Base-Backbone interact. energy: -0.184
local terms energy: -209.428298
where:
bonds (distance) C4'-P energy: -61.595
bonds (distance) P-C4' energy: -74.943
flat angles C4'-P-C4' energy: -50.723
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: 3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -329.885832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.885832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.885832 (E_RNA)
where:
Base-Base interactions energy: -122.681
where: short stacking energy: -84.228
Base-Backbone interact. energy: 2.473
local terms energy: -209.678160
where:
bonds (distance) C4'-P energy: -54.393
bonds (distance) P-C4' energy: -72.838
flat angles C4'-P-C4' energy: -60.759
flat angles P-C4'-P energy: -38.471
tors. eta vs tors. theta energy: 16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1172.320600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.320600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.320600 (E_RNA)
where:
Base-Base interactions energy: -793.164
where: short stacking energy: -321.094
Base-Backbone interact. energy: -2.830
local terms energy: -376.325895
where:
bonds (distance) C4'-P energy: -80.880
bonds (distance) P-C4' energy: -81.615
flat angles C4'-P-C4' energy: -84.034
flat angles P-C4'-P energy: -44.075
tors. eta vs tors. theta energy: -85.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1060.468921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.468921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.468921 (E_RNA)
where:
Base-Base interactions energy: -684.620
where: short stacking energy: -309.221
Base-Backbone interact. energy: -1.307
local terms energy: -374.542387
where:
bonds (distance) C4'-P energy: -75.100
bonds (distance) P-C4' energy: -77.066
flat angles C4'-P-C4' energy: -81.701
flat angles P-C4'-P energy: -52.965
tors. eta vs tors. theta energy: -87.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1042.910283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.910283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.910283 (E_RNA)
where:
Base-Base interactions energy: -658.779
where: short stacking energy: -325.096
Base-Backbone interact. energy: -5.660
local terms energy: -378.471571
where:
bonds (distance) C4'-P energy: -76.545
bonds (distance) P-C4' energy: -74.819
flat angles C4'-P-C4' energy: -83.645
flat angles P-C4'-P energy: -49.460
tors. eta vs tors. theta energy: -94.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -948.156546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.156546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.156546 (E_RNA)
where:
Base-Base interactions energy: -634.894
where: short stacking energy: -263.904
Base-Backbone interact. energy: -0.440
local terms energy: -312.822196
where:
bonds (distance) C4'-P energy: -63.761
bonds (distance) P-C4' energy: -70.497
flat angles C4'-P-C4' energy: -72.653
flat angles P-C4'-P energy: -37.715
tors. eta vs tors. theta energy: -68.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -864.931090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.931090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.931090 (E_RNA)
where:
Base-Base interactions energy: -517.566
where: short stacking energy: -236.799
Base-Backbone interact. energy: -1.862
local terms energy: -345.502695
where:
bonds (distance) C4'-P energy: -80.465
bonds (distance) P-C4' energy: -81.572
flat angles C4'-P-C4' energy: -81.578
flat angles P-C4'-P energy: -45.284
tors. eta vs tors. theta energy: -56.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -639.299570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.299570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.299570 (E_RNA)
where:
Base-Base interactions energy: -317.935
where: short stacking energy: -186.149
Base-Backbone interact. energy: -0.966
local terms energy: -320.398402
where:
bonds (distance) C4'-P energy: -71.104
bonds (distance) P-C4' energy: -77.402
flat angles C4'-P-C4' energy: -76.895
flat angles P-C4'-P energy: -51.808
tors. eta vs tors. theta energy: -43.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -564.702496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.702496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.702496 (E_RNA)
where:
Base-Base interactions energy: -323.214
where: short stacking energy: -140.303
Base-Backbone interact. energy: -3.943
local terms energy: -237.545468
where:
bonds (distance) C4'-P energy: -60.293
bonds (distance) P-C4' energy: -68.377
flat angles C4'-P-C4' energy: -55.043
flat angles P-C4'-P energy: -35.593
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -522.123760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.123760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.123760 (E_RNA)
where:
Base-Base interactions energy: -271.396
where: short stacking energy: -162.631
Base-Backbone interact. energy: -2.128
local terms energy: -248.600201
where:
bonds (distance) C4'-P energy: -73.520
bonds (distance) P-C4' energy: -54.602
flat angles C4'-P-C4' energy: -72.961
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -384.405129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.405129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.405129 (E_RNA)
where:
Base-Base interactions energy: -144.853
where: short stacking energy: -103.672
Base-Backbone interact. energy: -0.443
local terms energy: -239.109009
where:
bonds (distance) C4'-P energy: -64.323
bonds (distance) P-C4' energy: -80.786
flat angles C4'-P-C4' energy: -66.338
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -9.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -313.563877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.563877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.563877 (E_RNA)
where:
Base-Base interactions energy: -111.123
where: short stacking energy: -92.428
Base-Backbone interact. energy: 1.218
local terms energy: -203.658945
where:
bonds (distance) C4'-P energy: -60.992
bonds (distance) P-C4' energy: -62.463
flat angles C4'-P-C4' energy: -60.586
flat angles P-C4'-P energy: -30.157
tors. eta vs tors. theta energy: 10.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1183.423192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.423192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.423192 (E_RNA)
where:
Base-Base interactions energy: -775.855
where: short stacking energy: -337.901
Base-Backbone interact. energy: -1.341
local terms energy: -406.227209
where:
bonds (distance) C4'-P energy: -82.223
bonds (distance) P-C4' energy: -93.367
flat angles C4'-P-C4' energy: -78.096
flat angles P-C4'-P energy: -59.427
tors. eta vs tors. theta energy: -93.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1022.526540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.526540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.526540 (E_RNA)
where:
Base-Base interactions energy: -652.913
where: short stacking energy: -281.747
Base-Backbone interact. energy: -1.680
local terms energy: -367.932985
where:
bonds (distance) C4'-P energy: -80.982
bonds (distance) P-C4' energy: -80.136
flat angles C4'-P-C4' energy: -76.535
flat angles P-C4'-P energy: -57.893
tors. eta vs tors. theta energy: -72.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1059.986859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.986859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.986859 (E_RNA)
where:
Base-Base interactions energy: -693.946
where: short stacking energy: -308.686
Base-Backbone interact. energy: -3.051
local terms energy: -362.990137
where:
bonds (distance) C4'-P energy: -77.994
bonds (distance) P-C4' energy: -76.611
flat angles C4'-P-C4' energy: -88.009
flat angles P-C4'-P energy: -44.298
tors. eta vs tors. theta energy: -76.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -955.494324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.494324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.494324 (E_RNA)
where:
Base-Base interactions energy: -605.594
where: short stacking energy: -276.971
Base-Backbone interact. energy: -1.226
local terms energy: -348.674247
where:
bonds (distance) C4'-P energy: -66.172
bonds (distance) P-C4' energy: -75.707
flat angles C4'-P-C4' energy: -80.977
flat angles P-C4'-P energy: -45.454
tors. eta vs tors. theta energy: -80.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -862.569387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.569387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.569387 (E_RNA)
where:
Base-Base interactions energy: -506.389
where: short stacking energy: -233.901
Base-Backbone interact. energy: -2.911
local terms energy: -353.269066
where:
bonds (distance) C4'-P energy: -78.864
bonds (distance) P-C4' energy: -73.824
flat angles C4'-P-C4' energy: -85.227
flat angles P-C4'-P energy: -53.880
tors. eta vs tors. theta energy: -61.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -645.329023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.329023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.329023 (E_RNA)
where:
Base-Base interactions energy: -356.136
where: short stacking energy: -184.738
Base-Backbone interact. energy: -1.013
local terms energy: -288.179685
where:
bonds (distance) C4'-P energy: -60.382
bonds (distance) P-C4' energy: -75.674
flat angles C4'-P-C4' energy: -73.892
flat angles P-C4'-P energy: -55.803
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -582.210819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.210819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.210819 (E_RNA)
where:
Base-Base interactions energy: -313.781
where: short stacking energy: -175.043
Base-Backbone interact. energy: -2.479
local terms energy: -265.951211
where:
bonds (distance) C4'-P energy: -67.039
bonds (distance) P-C4' energy: -62.079
flat angles C4'-P-C4' energy: -71.119
flat angles P-C4'-P energy: -40.679
tors. eta vs tors. theta energy: -25.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -514.336262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.336262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.336262 (E_RNA)
where:
Base-Base interactions energy: -271.059
where: short stacking energy: -116.392
Base-Backbone interact. energy: 2.538
local terms energy: -245.815516
where:
bonds (distance) C4'-P energy: -64.476
bonds (distance) P-C4' energy: -75.392
flat angles C4'-P-C4' energy: -81.228
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -343.724221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.724221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.724221 (E_RNA)
where:
Base-Base interactions energy: -133.720
where: short stacking energy: -84.160
Base-Backbone interact. energy: -3.639
local terms energy: -206.365482
where:
bonds (distance) C4'-P energy: -56.342
bonds (distance) P-C4' energy: -76.516
flat angles C4'-P-C4' energy: -46.886
flat angles P-C4'-P energy: -32.239
tors. eta vs tors. theta energy: 5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -324.973679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.973679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.973679 (E_RNA)
where:
Base-Base interactions energy: -101.600
where: short stacking energy: -86.991
Base-Backbone interact. energy: 0.094
local terms energy: -223.467445
where:
bonds (distance) C4'-P energy: -54.917
bonds (distance) P-C4' energy: -68.424
flat angles C4'-P-C4' energy: -64.970
flat angles P-C4'-P energy: -36.519
tors. eta vs tors. theta energy: 1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1222.290741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.290741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.290741 (E_RNA)
where:
Base-Base interactions energy: -824.277
where: short stacking energy: -346.775
Base-Backbone interact. energy: -0.852
local terms energy: -397.161681
where:
bonds (distance) C4'-P energy: -72.487
bonds (distance) P-C4' energy: -76.842
flat angles C4'-P-C4' energy: -87.507
flat angles P-C4'-P energy: -55.317
tors. eta vs tors. theta energy: -105.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1067.912828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.912828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.912828 (E_RNA)
where:
Base-Base interactions energy: -708.584
where: short stacking energy: -269.428
Base-Backbone interact. energy: -2.046
local terms energy: -357.282668
where:
bonds (distance) C4'-P energy: -67.360
bonds (distance) P-C4' energy: -82.271
flat angles C4'-P-C4' energy: -83.121
flat angles P-C4'-P energy: -51.307
tors. eta vs tors. theta energy: -73.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1023.251916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.251916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.251916 (E_RNA)
where:
Base-Base interactions energy: -661.448
where: short stacking energy: -288.220
Base-Backbone interact. energy: 0.361
local terms energy: -362.164717
where:
bonds (distance) C4'-P energy: -84.314
bonds (distance) P-C4' energy: -76.371
flat angles C4'-P-C4' energy: -79.965
flat angles P-C4'-P energy: -47.905
tors. eta vs tors. theta energy: -73.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -967.779527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.779527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.779527 (E_RNA)
where:
Base-Base interactions energy: -618.040
where: short stacking energy: -287.283
Base-Backbone interact. energy: -0.823
local terms energy: -348.916542
where:
bonds (distance) C4'-P energy: -84.055
bonds (distance) P-C4' energy: -64.295
flat angles C4'-P-C4' energy: -83.955
flat angles P-C4'-P energy: -53.785
tors. eta vs tors. theta energy: -62.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -862.057379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.057379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.057379 (E_RNA)
where:
Base-Base interactions energy: -515.871
where: short stacking energy: -260.093
Base-Backbone interact. energy: -1.343
local terms energy: -344.843292
where:
bonds (distance) C4'-P energy: -70.849
bonds (distance) P-C4' energy: -83.385
flat angles C4'-P-C4' energy: -73.465
flat angles P-C4'-P energy: -45.953
tors. eta vs tors. theta energy: -71.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -703.588687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.588687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.588687 (E_RNA)
where:
Base-Base interactions energy: -389.223
where: short stacking energy: -197.799
Base-Backbone interact. energy: 3.078
local terms energy: -317.443074
where:
bonds (distance) C4'-P energy: -78.773
bonds (distance) P-C4' energy: -73.800
flat angles C4'-P-C4' energy: -76.916
flat angles P-C4'-P energy: -52.282
tors. eta vs tors. theta energy: -35.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -634.428079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.428079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.428079 (E_RNA)
where:
Base-Base interactions energy: -365.145
where: short stacking energy: -190.719
Base-Backbone interact. energy: -0.552
local terms energy: -268.731261
where:
bonds (distance) C4'-P energy: -61.153
bonds (distance) P-C4' energy: -65.112
flat angles C4'-P-C4' energy: -66.730
flat angles P-C4'-P energy: -36.098
tors. eta vs tors. theta energy: -39.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -534.673358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.673358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.673358 (E_RNA)
where:
Base-Base interactions energy: -279.910
where: short stacking energy: -145.993
Base-Backbone interact. energy: -1.807
local terms energy: -252.956824
where:
bonds (distance) C4'-P energy: -63.607
bonds (distance) P-C4' energy: -72.449
flat angles C4'-P-C4' energy: -56.666
flat angles P-C4'-P energy: -40.302
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -350.723732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.723732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.723732 (E_RNA)
where:
Base-Base interactions energy: -123.832
where: short stacking energy: -98.760
Base-Backbone interact. energy: 0.613
local terms energy: -227.504859
where:
bonds (distance) C4'-P energy: -75.194
bonds (distance) P-C4' energy: -59.293
flat angles C4'-P-C4' energy: -68.983
flat angles P-C4'-P energy: -35.773
tors. eta vs tors. theta energy: 11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -334.394237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.394237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.394237 (E_RNA)
where:
Base-Base interactions energy: -124.509
where: short stacking energy: -92.933
Base-Backbone interact. energy: 0.084
local terms energy: -209.968777
where:
bonds (distance) C4'-P energy: -59.550
bonds (distance) P-C4' energy: -72.905
flat angles C4'-P-C4' energy: -52.722
flat angles P-C4'-P energy: -37.050
tors. eta vs tors. theta energy: 12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1231.312231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.312231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.312231 (E_RNA)
where:
Base-Base interactions energy: -827.637
where: short stacking energy: -361.105
Base-Backbone interact. energy: -2.582
local terms energy: -401.093569
where:
bonds (distance) C4'-P energy: -75.139
bonds (distance) P-C4' energy: -67.113
flat angles C4'-P-C4' energy: -89.673
flat angles P-C4'-P energy: -64.108
tors. eta vs tors. theta energy: -105.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1081.548104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.548104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.548104 (E_RNA)
where:
Base-Base interactions energy: -726.009
where: short stacking energy: -295.933
Base-Backbone interact. energy: -3.290
local terms energy: -352.248894
where:
bonds (distance) C4'-P energy: -84.177
bonds (distance) P-C4' energy: -66.289
flat angles C4'-P-C4' energy: -80.939
flat angles P-C4'-P energy: -44.776
tors. eta vs tors. theta energy: -76.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1041.230861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.230861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.230861 (E_RNA)
where:
Base-Base interactions energy: -652.601
where: short stacking energy: -316.423
Base-Backbone interact. energy: 0.943
local terms energy: -389.572780
where:
bonds (distance) C4'-P energy: -73.214
bonds (distance) P-C4' energy: -84.748
flat angles C4'-P-C4' energy: -92.098
flat angles P-C4'-P energy: -45.432
tors. eta vs tors. theta energy: -94.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -963.598436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.598436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.598436 (E_RNA)
where:
Base-Base interactions energy: -641.521
where: short stacking energy: -280.328
Base-Backbone interact. energy: -2.041
local terms energy: -320.036751
where:
bonds (distance) C4'-P energy: -64.170
bonds (distance) P-C4' energy: -70.827
flat angles C4'-P-C4' energy: -68.144
flat angles P-C4'-P energy: -51.869
tors. eta vs tors. theta energy: -65.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -837.831903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.831903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.831903 (E_RNA)
where:
Base-Base interactions energy: -509.796
where: short stacking energy: -274.708
Base-Backbone interact. energy: 0.210
local terms energy: -328.245062
where:
bonds (distance) C4'-P energy: -73.787
bonds (distance) P-C4' energy: -73.548
flat angles C4'-P-C4' energy: -67.821
flat angles P-C4'-P energy: -42.659
tors. eta vs tors. theta energy: -70.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -728.420898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.420898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.420898 (E_RNA)
where:
Base-Base interactions energy: -411.329
where: short stacking energy: -211.196
Base-Backbone interact. energy: -0.540
local terms energy: -316.552107
where:
bonds (distance) C4'-P energy: -71.648
bonds (distance) P-C4' energy: -64.154
flat angles C4'-P-C4' energy: -79.228
flat angles P-C4'-P energy: -47.349
tors. eta vs tors. theta energy: -54.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -620.262247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.262247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.262247 (E_RNA)
where:
Base-Base interactions energy: -343.853
where: short stacking energy: -178.344
Base-Backbone interact. energy: -1.915
local terms energy: -274.494063
where:
bonds (distance) C4'-P energy: -64.191
bonds (distance) P-C4' energy: -64.454
flat angles C4'-P-C4' energy: -70.444
flat angles P-C4'-P energy: -47.117
tors. eta vs tors. theta energy: -28.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -497.685051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.685051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.685051 (E_RNA)
where:
Base-Base interactions energy: -256.871
where: short stacking energy: -146.511
Base-Backbone interact. energy: -2.467
local terms energy: -238.346360
where:
bonds (distance) C4'-P energy: -68.729
bonds (distance) P-C4' energy: -64.868
flat angles C4'-P-C4' energy: -67.382
flat angles P-C4'-P energy: -33.188
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -343.401704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.401704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.401704 (E_RNA)
where:
Base-Base interactions energy: -127.890
where: short stacking energy: -118.132
Base-Backbone interact. energy: -1.789
local terms energy: -213.722905
where:
bonds (distance) C4'-P energy: -61.852
bonds (distance) P-C4' energy: -67.038
flat angles C4'-P-C4' energy: -53.966
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -6.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -318.798377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.798377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.798377 (E_RNA)
where:
Base-Base interactions energy: -102.673
where: short stacking energy: -89.426
Base-Backbone interact. energy: 0.754
local terms energy: -216.879292
where:
bonds (distance) C4'-P energy: -56.015
bonds (distance) P-C4' energy: -73.130
flat angles C4'-P-C4' energy: -61.636
flat angles P-C4'-P energy: -34.081
tors. eta vs tors. theta energy: 7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1239.944478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.944478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.944478 (E_RNA)
where:
Base-Base interactions energy: -835.690
where: short stacking energy: -380.782
Base-Backbone interact. energy: -0.706
local terms energy: -403.548269
where:
bonds (distance) C4'-P energy: -79.124
bonds (distance) P-C4' energy: -70.825
flat angles C4'-P-C4' energy: -93.868
flat angles P-C4'-P energy: -60.377
tors. eta vs tors. theta energy: -99.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1106.112466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.112466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.112466 (E_RNA)
where:
Base-Base interactions energy: -713.077
where: short stacking energy: -334.617
Base-Backbone interact. energy: -1.882
local terms energy: -391.153510
where:
bonds (distance) C4'-P energy: -77.806
bonds (distance) P-C4' energy: -81.544
flat angles C4'-P-C4' energy: -82.423
flat angles P-C4'-P energy: -57.145
tors. eta vs tors. theta energy: -92.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1011.493612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.493612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.493612 (E_RNA)
where:
Base-Base interactions energy: -646.146
where: short stacking energy: -287.822
Base-Backbone interact. energy: -4.104
local terms energy: -361.243052
where:
bonds (distance) C4'-P energy: -67.158
bonds (distance) P-C4' energy: -73.150
flat angles C4'-P-C4' energy: -86.992
flat angles P-C4'-P energy: -56.277
tors. eta vs tors. theta energy: -77.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -990.950936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.950936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.950936 (E_RNA)
where:
Base-Base interactions energy: -649.978
where: short stacking energy: -288.947
Base-Backbone interact. energy: 0.034
local terms energy: -341.007863
where:
bonds (distance) C4'-P energy: -68.844
bonds (distance) P-C4' energy: -66.416
flat angles C4'-P-C4' energy: -78.344
flat angles P-C4'-P energy: -48.018
tors. eta vs tors. theta energy: -79.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -815.087582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.087582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.087582 (E_RNA)
where:
Base-Base interactions energy: -494.669
where: short stacking energy: -227.401
Base-Backbone interact. energy: 1.567
local terms energy: -321.985813
where:
bonds (distance) C4'-P energy: -66.290
bonds (distance) P-C4' energy: -78.801
flat angles C4'-P-C4' energy: -73.357
flat angles P-C4'-P energy: -43.121
tors. eta vs tors. theta energy: -60.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -668.083305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.083305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.083305 (E_RNA)
where:
Base-Base interactions energy: -380.753
where: short stacking energy: -193.989
Base-Backbone interact. energy: 1.613
local terms energy: -288.942585
where:
bonds (distance) C4'-P energy: -71.250
bonds (distance) P-C4' energy: -57.206
flat angles C4'-P-C4' energy: -74.496
flat angles P-C4'-P energy: -48.900
tors. eta vs tors. theta energy: -37.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -624.755327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.755327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.755327 (E_RNA)
where:
Base-Base interactions energy: -346.236
where: short stacking energy: -144.096
Base-Backbone interact. energy: -0.444
local terms energy: -278.075305
where:
bonds (distance) C4'-P energy: -71.531
bonds (distance) P-C4' energy: -71.409
flat angles C4'-P-C4' energy: -68.809
flat angles P-C4'-P energy: -47.126
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -528.626476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.626476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.626476 (E_RNA)
where:
Base-Base interactions energy: -262.784
where: short stacking energy: -153.518
Base-Backbone interact. energy: -1.828
local terms energy: -264.014292
where:
bonds (distance) C4'-P energy: -68.954
bonds (distance) P-C4' energy: -79.496
flat angles C4'-P-C4' energy: -59.474
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -356.949308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.949308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.949308 (E_RNA)
where:
Base-Base interactions energy: -127.300
where: short stacking energy: -87.611
Base-Backbone interact. energy: -1.006
local terms energy: -228.643979
where:
bonds (distance) C4'-P energy: -68.418
bonds (distance) P-C4' energy: -88.639
flat angles C4'-P-C4' energy: -59.205
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: 5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -316.487858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.487858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.487858 (E_RNA)
where:
Base-Base interactions energy: -113.381
where: short stacking energy: -86.401
Base-Backbone interact. energy: -0.745
local terms energy: -202.362599
where:
bonds (distance) C4'-P energy: -64.947
bonds (distance) P-C4' energy: -65.632
flat angles C4'-P-C4' energy: -66.506
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: 9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1225.216215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.216215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.216215 (E_RNA)
where:
Base-Base interactions energy: -819.873
where: short stacking energy: -349.884
Base-Backbone interact. energy: -2.865
local terms energy: -402.477603
where:
bonds (distance) C4'-P energy: -72.813
bonds (distance) P-C4' energy: -77.353
flat angles C4'-P-C4' energy: -88.707
flat angles P-C4'-P energy: -61.744
tors. eta vs tors. theta energy: -101.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1094.592437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.592437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.592437 (E_RNA)
where:
Base-Base interactions energy: -697.374
where: short stacking energy: -330.526
Base-Backbone interact. energy: 1.520
local terms energy: -398.738018
where:
bonds (distance) C4'-P energy: -81.476
bonds (distance) P-C4' energy: -73.750
flat angles C4'-P-C4' energy: -86.201
flat angles P-C4'-P energy: -56.803
tors. eta vs tors. theta energy: -100.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1052.951036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.951036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.951036 (E_RNA)
where:
Base-Base interactions energy: -677.418
where: short stacking energy: -280.865
Base-Backbone interact. energy: 0.099
local terms energy: -375.631432
where:
bonds (distance) C4'-P energy: -80.899
bonds (distance) P-C4' energy: -75.699
flat angles C4'-P-C4' energy: -86.759
flat angles P-C4'-P energy: -53.524
tors. eta vs tors. theta energy: -78.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -957.356740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.356740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.356740 (E_RNA)
where:
Base-Base interactions energy: -604.595
where: short stacking energy: -270.840
Base-Backbone interact. energy: -2.176
local terms energy: -350.586095
where:
bonds (distance) C4'-P energy: -72.593
bonds (distance) P-C4' energy: -70.621
flat angles C4'-P-C4' energy: -76.571
flat angles P-C4'-P energy: -53.054
tors. eta vs tors. theta energy: -77.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -816.110136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.110136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.110136 (E_RNA)
where:
Base-Base interactions energy: -500.393
where: short stacking energy: -248.482
Base-Backbone interact. energy: -2.369
local terms energy: -313.347938
where:
bonds (distance) C4'-P energy: -68.511
bonds (distance) P-C4' energy: -64.794
flat angles C4'-P-C4' energy: -68.392
flat angles P-C4'-P energy: -50.558
tors. eta vs tors. theta energy: -61.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -663.110142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.110142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.110142 (E_RNA)
where:
Base-Base interactions energy: -370.067
where: short stacking energy: -178.783
Base-Backbone interact. energy: -1.016
local terms energy: -292.027536
where:
bonds (distance) C4'-P energy: -81.320
bonds (distance) P-C4' energy: -71.764
flat angles C4'-P-C4' energy: -62.485
flat angles P-C4'-P energy: -42.499
tors. eta vs tors. theta energy: -33.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -653.599686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.599686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.599686 (E_RNA)
where:
Base-Base interactions energy: -382.314
where: short stacking energy: -179.094
Base-Backbone interact. energy: -3.678
local terms energy: -267.607947
where:
bonds (distance) C4'-P energy: -71.883
bonds (distance) P-C4' energy: -71.233
flat angles C4'-P-C4' energy: -59.711
flat angles P-C4'-P energy: -32.422
tors. eta vs tors. theta energy: -32.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -459.266022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.266022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.266022 (E_RNA)
where:
Base-Base interactions energy: -252.834
where: short stacking energy: -125.710
Base-Backbone interact. energy: 4.665
local terms energy: -211.097030
where:
bonds (distance) C4'-P energy: -52.044
bonds (distance) P-C4' energy: -82.305
flat angles C4'-P-C4' energy: -37.200
flat angles P-C4'-P energy: -42.616
tors. eta vs tors. theta energy: 3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -357.639010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.639010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.639010 (E_RNA)
where:
Base-Base interactions energy: -144.493
where: short stacking energy: -90.892
Base-Backbone interact. energy: -1.107
local terms energy: -212.039521
where:
bonds (distance) C4'-P energy: -71.410
bonds (distance) P-C4' energy: -68.634
flat angles C4'-P-C4' energy: -61.575
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: 10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -362.078701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.078701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.078701 (E_RNA)
where:
Base-Base interactions energy: -156.722
where: short stacking energy: -95.102
Base-Backbone interact. energy: 4.764
local terms energy: -210.121174
where:
bonds (distance) C4'-P energy: -57.291
bonds (distance) P-C4' energy: -60.578
flat angles C4'-P-C4' energy: -58.721
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: 2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1224.484950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.484950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.484950 (E_RNA)
where:
Base-Base interactions energy: -808.625
where: short stacking energy: -341.038
Base-Backbone interact. energy: -2.053
local terms energy: -413.806600
where:
bonds (distance) C4'-P energy: -75.986
bonds (distance) P-C4' energy: -79.633
flat angles C4'-P-C4' energy: -91.593
flat angles P-C4'-P energy: -63.281
tors. eta vs tors. theta energy: -103.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1094.067321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.067321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.067321 (E_RNA)
where:
Base-Base interactions energy: -692.934
where: short stacking energy: -343.287
Base-Backbone interact. energy: -2.347
local terms energy: -398.786679
where:
bonds (distance) C4'-P energy: -87.222
bonds (distance) P-C4' energy: -70.923
flat angles C4'-P-C4' energy: -80.037
flat angles P-C4'-P energy: -58.812
tors. eta vs tors. theta energy: -101.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1089.654447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.654447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.654447 (E_RNA)
where:
Base-Base interactions energy: -715.623
where: short stacking energy: -311.751
Base-Backbone interact. energy: -1.167
local terms energy: -372.864969
where:
bonds (distance) C4'-P energy: -73.870
bonds (distance) P-C4' energy: -80.197
flat angles C4'-P-C4' energy: -80.447
flat angles P-C4'-P energy: -59.169
tors. eta vs tors. theta energy: -79.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -949.830674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.830674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.830674 (E_RNA)
where:
Base-Base interactions energy: -596.333
where: short stacking energy: -274.711
Base-Backbone interact. energy: -1.000
local terms energy: -352.497931
where:
bonds (distance) C4'-P energy: -72.879
bonds (distance) P-C4' energy: -81.288
flat angles C4'-P-C4' energy: -76.910
flat angles P-C4'-P energy: -48.826
tors. eta vs tors. theta energy: -72.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -808.030758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.030758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.030758 (E_RNA)
where:
Base-Base interactions energy: -502.792
where: short stacking energy: -238.672
Base-Backbone interact. energy: 1.744
local terms energy: -306.983360
where:
bonds (distance) C4'-P energy: -63.507
bonds (distance) P-C4' energy: -70.816
flat angles C4'-P-C4' energy: -71.322
flat angles P-C4'-P energy: -47.606
tors. eta vs tors. theta energy: -53.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -737.530139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.530139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.530139 (E_RNA)
where:
Base-Base interactions energy: -444.463
where: short stacking energy: -216.360
Base-Backbone interact. energy: -0.119
local terms energy: -292.948390
where:
bonds (distance) C4'-P energy: -63.194
bonds (distance) P-C4' energy: -61.055
flat angles C4'-P-C4' energy: -74.230
flat angles P-C4'-P energy: -45.005
tors. eta vs tors. theta energy: -49.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -636.548342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.548342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.548342 (E_RNA)
where:
Base-Base interactions energy: -349.697
where: short stacking energy: -165.562
Base-Backbone interact. energy: -1.438
local terms energy: -285.414156
where:
bonds (distance) C4'-P energy: -71.194
bonds (distance) P-C4' energy: -73.065
flat angles C4'-P-C4' energy: -73.130
flat angles P-C4'-P energy: -36.755
tors. eta vs tors. theta energy: -31.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -456.248871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.248871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.248871 (E_RNA)
where:
Base-Base interactions energy: -201.140
where: short stacking energy: -106.910
Base-Backbone interact. energy: -0.281
local terms energy: -254.827850
where:
bonds (distance) C4'-P energy: -69.342
bonds (distance) P-C4' energy: -76.716
flat angles C4'-P-C4' energy: -72.299
flat angles P-C4'-P energy: -34.305
tors. eta vs tors. theta energy: -2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -329.061593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.061593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.061593 (E_RNA)
where:
Base-Base interactions energy: -121.520
where: short stacking energy: -68.457
Base-Backbone interact. energy: -2.577
local terms energy: -204.964184
where:
bonds (distance) C4'-P energy: -63.969
bonds (distance) P-C4' energy: -77.295
flat angles C4'-P-C4' energy: -53.997
flat angles P-C4'-P energy: -36.215
tors. eta vs tors. theta energy: 26.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -341.747394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.747394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.747394 (E_RNA)
where:
Base-Base interactions energy: -133.078
where: short stacking energy: -92.750
Base-Backbone interact. energy: 5.102
local terms energy: -213.772010
where:
bonds (distance) C4'-P energy: -60.733
bonds (distance) P-C4' energy: -62.040
flat angles C4'-P-C4' energy: -47.957
flat angles P-C4'-P energy: -49.846
tors. eta vs tors. theta energy: 6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1207.071115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.071115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.071115 (E_RNA)
where:
Base-Base interactions energy: -830.413
where: short stacking energy: -349.648
Base-Backbone interact. energy: 1.631
local terms energy: -378.289665
where:
bonds (distance) C4'-P energy: -78.690
bonds (distance) P-C4' energy: -78.245
flat angles C4'-P-C4' energy: -79.386
flat angles P-C4'-P energy: -43.476
tors. eta vs tors. theta energy: -98.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1099.081274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.081274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.081274 (E_RNA)
where:
Base-Base interactions energy: -695.439
where: short stacking energy: -331.637
Base-Backbone interact. energy: -2.844
local terms energy: -400.799073
where:
bonds (distance) C4'-P energy: -81.472
bonds (distance) P-C4' energy: -77.753
flat angles C4'-P-C4' energy: -88.586
flat angles P-C4'-P energy: -48.336
tors. eta vs tors. theta energy: -104.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1028.902630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.902630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.902630 (E_RNA)
where:
Base-Base interactions energy: -659.562
where: short stacking energy: -313.520
Base-Backbone interact. energy: -0.893
local terms energy: -368.447793
where:
bonds (distance) C4'-P energy: -73.212
bonds (distance) P-C4' energy: -77.773
flat angles C4'-P-C4' energy: -94.182
flat angles P-C4'-P energy: -44.295
tors. eta vs tors. theta energy: -78.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1036.167060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.167060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.167060 (E_RNA)
where:
Base-Base interactions energy: -698.140
where: short stacking energy: -307.065
Base-Backbone interact. energy: -1.775
local terms energy: -336.251599
where:
bonds (distance) C4'-P energy: -55.175
bonds (distance) P-C4' energy: -81.853
flat angles C4'-P-C4' energy: -73.398
flat angles P-C4'-P energy: -41.742
tors. eta vs tors. theta energy: -84.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -828.170297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.170297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.170297 (E_RNA)
where:
Base-Base interactions energy: -493.481
where: short stacking energy: -243.932
Base-Backbone interact. energy: 1.188
local terms energy: -335.877359
where:
bonds (distance) C4'-P energy: -71.785
bonds (distance) P-C4' energy: -73.746
flat angles C4'-P-C4' energy: -69.966
flat angles P-C4'-P energy: -59.302
tors. eta vs tors. theta energy: -61.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -674.838494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.838494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.838494 (E_RNA)
where:
Base-Base interactions energy: -390.274
where: short stacking energy: -229.039
Base-Backbone interact. energy: 8.521
local terms energy: -293.085910
where:
bonds (distance) C4'-P energy: -67.833
bonds (distance) P-C4' energy: -66.289
flat angles C4'-P-C4' energy: -84.579
flat angles P-C4'-P energy: -31.320
tors. eta vs tors. theta energy: -43.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -641.247003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.247003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.247003 (E_RNA)
where:
Base-Base interactions energy: -347.575
where: short stacking energy: -173.556
Base-Backbone interact. energy: 0.015
local terms energy: -293.686688
where:
bonds (distance) C4'-P energy: -71.614
bonds (distance) P-C4' energy: -76.583
flat angles C4'-P-C4' energy: -73.581
flat angles P-C4'-P energy: -44.668
tors. eta vs tors. theta energy: -27.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -505.078773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.078773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.078773 (E_RNA)
where:
Base-Base interactions energy: -251.577
where: short stacking energy: -133.369
Base-Backbone interact. energy: -2.761
local terms energy: -250.741356
where:
bonds (distance) C4'-P energy: -66.532
bonds (distance) P-C4' energy: -71.008
flat angles C4'-P-C4' energy: -58.551
flat angles P-C4'-P energy: -47.223
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -359.892517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.892517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.892517 (E_RNA)
where:
Base-Base interactions energy: -129.546
where: short stacking energy: -105.826
Base-Backbone interact. energy: -2.748
local terms energy: -227.598956
where:
bonds (distance) C4'-P energy: -72.703
bonds (distance) P-C4' energy: -76.171
flat angles C4'-P-C4' energy: -51.044
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: 16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -320.330088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.330088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.330088 (E_RNA)
where:
Base-Base interactions energy: -103.364
where: short stacking energy: -77.267
Base-Backbone interact. energy: -1.632
local terms energy: -215.333832
where:
bonds (distance) C4'-P energy: -68.925
bonds (distance) P-C4' energy: -68.127
flat angles C4'-P-C4' energy: -56.073
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: 11.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1223.608798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.608798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.608798 (E_RNA)
where:
Base-Base interactions energy: -811.295
where: short stacking energy: -350.751
Base-Backbone interact. energy: -2.635
local terms energy: -409.679126
where:
bonds (distance) C4'-P energy: -77.669
bonds (distance) P-C4' energy: -77.160
flat angles C4'-P-C4' energy: -88.910
flat angles P-C4'-P energy: -61.176
tors. eta vs tors. theta energy: -104.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1134.840410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.840410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.840410 (E_RNA)
where:
Base-Base interactions energy: -736.355
where: short stacking energy: -341.335
Base-Backbone interact. energy: -3.081
local terms energy: -395.404484
where:
bonds (distance) C4'-P energy: -74.357
bonds (distance) P-C4' energy: -78.012
flat angles C4'-P-C4' energy: -93.548
flat angles P-C4'-P energy: -52.487
tors. eta vs tors. theta energy: -97.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1010.664160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.664160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.664160 (E_RNA)
where:
Base-Base interactions energy: -651.121
where: short stacking energy: -312.978
Base-Backbone interact. energy: -3.160
local terms energy: -356.383122
where:
bonds (distance) C4'-P energy: -65.533
bonds (distance) P-C4' energy: -81.217
flat angles C4'-P-C4' energy: -72.904
flat angles P-C4'-P energy: -50.664
tors. eta vs tors. theta energy: -86.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1008.251614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.251614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.251614 (E_RNA)
where:
Base-Base interactions energy: -655.519
where: short stacking energy: -310.942
Base-Backbone interact. energy: -3.336
local terms energy: -349.396476
where:
bonds (distance) C4'-P energy: -60.825
bonds (distance) P-C4' energy: -75.538
flat angles C4'-P-C4' energy: -77.715
flat angles P-C4'-P energy: -56.289
tors. eta vs tors. theta energy: -79.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -860.204145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.204145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.204145 (E_RNA)
where:
Base-Base interactions energy: -532.120
where: short stacking energy: -264.210
Base-Backbone interact. energy: -3.134
local terms energy: -324.950688
where:
bonds (distance) C4'-P energy: -76.513
bonds (distance) P-C4' energy: -72.086
flat angles C4'-P-C4' energy: -77.038
flat angles P-C4'-P energy: -41.807
tors. eta vs tors. theta energy: -57.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -663.363057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.363057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.363057 (E_RNA)
where:
Base-Base interactions energy: -377.037
where: short stacking energy: -183.671
Base-Backbone interact. energy: -1.265
local terms energy: -285.060923
where:
bonds (distance) C4'-P energy: -78.863
bonds (distance) P-C4' energy: -77.196
flat angles C4'-P-C4' energy: -62.521
flat angles P-C4'-P energy: -34.926
tors. eta vs tors. theta energy: -31.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -599.095385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.095385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.095385 (E_RNA)
where:
Base-Base interactions energy: -336.242
where: short stacking energy: -152.026
Base-Backbone interact. energy: -1.349
local terms energy: -261.504418
where:
bonds (distance) C4'-P energy: -64.912
bonds (distance) P-C4' energy: -75.355
flat angles C4'-P-C4' energy: -58.229
flat angles P-C4'-P energy: -50.359
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -551.993448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.993448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.993448 (E_RNA)
where:
Base-Base interactions energy: -297.403
where: short stacking energy: -153.227
Base-Backbone interact. energy: -0.027
local terms energy: -254.563525
where:
bonds (distance) C4'-P energy: -57.795
bonds (distance) P-C4' energy: -70.417
flat angles C4'-P-C4' energy: -55.791
flat angles P-C4'-P energy: -53.419
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -352.991728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.991728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.991728 (E_RNA)
where:
Base-Base interactions energy: -116.638
where: short stacking energy: -101.376
Base-Backbone interact. energy: -0.956
local terms energy: -235.397514
where:
bonds (distance) C4'-P energy: -64.873
bonds (distance) P-C4' energy: -68.775
flat angles C4'-P-C4' energy: -53.983
flat angles P-C4'-P energy: -50.621
tors. eta vs tors. theta energy: 2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -326.113636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.113636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.113636 (E_RNA)
where:
Base-Base interactions energy: -125.657
where: short stacking energy: -102.368
Base-Backbone interact. energy: -1.854
local terms energy: -198.602161
where:
bonds (distance) C4'-P energy: -58.160
bonds (distance) P-C4' energy: -62.838
flat angles C4'-P-C4' energy: -55.654
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: 14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1231.330869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.330869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.330869 (E_RNA)
where:
Base-Base interactions energy: -816.870
where: short stacking energy: -362.338
Base-Backbone interact. energy: -0.043
local terms energy: -414.418167
where:
bonds (distance) C4'-P energy: -78.109
bonds (distance) P-C4' energy: -81.632
flat angles C4'-P-C4' energy: -91.517
flat angles P-C4'-P energy: -57.044
tors. eta vs tors. theta energy: -106.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1156.856140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.856140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.856140 (E_RNA)
where:
Base-Base interactions energy: -763.776
where: short stacking energy: -320.006
Base-Backbone interact. energy: 0.641
local terms energy: -393.720720
where:
bonds (distance) C4'-P energy: -72.375
bonds (distance) P-C4' energy: -75.364
flat angles C4'-P-C4' energy: -94.725
flat angles P-C4'-P energy: -63.168
tors. eta vs tors. theta energy: -88.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1048.773836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.773836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.773836 (E_RNA)
where:
Base-Base interactions energy: -683.499
where: short stacking energy: -299.727
Base-Backbone interact. energy: -1.031
local terms energy: -364.243184
where:
bonds (distance) C4'-P energy: -78.506
bonds (distance) P-C4' energy: -72.037
flat angles C4'-P-C4' energy: -78.837
flat angles P-C4'-P energy: -52.062
tors. eta vs tors. theta energy: -82.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -961.423837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.423837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.423837 (E_RNA)
where:
Base-Base interactions energy: -627.878
where: short stacking energy: -293.087
Base-Backbone interact. energy: -2.238
local terms energy: -331.308459
where:
bonds (distance) C4'-P energy: -62.081
bonds (distance) P-C4' energy: -68.351
flat angles C4'-P-C4' energy: -69.033
flat angles P-C4'-P energy: -50.416
tors. eta vs tors. theta energy: -81.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -873.825485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.825485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.825485 (E_RNA)
where:
Base-Base interactions energy: -542.477
where: short stacking energy: -259.209
Base-Backbone interact. energy: 2.066
local terms energy: -333.414280
where:
bonds (distance) C4'-P energy: -74.614
bonds (distance) P-C4' energy: -74.484
flat angles C4'-P-C4' energy: -71.555
flat angles P-C4'-P energy: -51.696
tors. eta vs tors. theta energy: -61.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -707.156636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.156636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.156636 (E_RNA)
where:
Base-Base interactions energy: -401.419
where: short stacking energy: -197.354
Base-Backbone interact. energy: -0.158
local terms energy: -305.579645
where:
bonds (distance) C4'-P energy: -82.207
bonds (distance) P-C4' energy: -64.503
flat angles C4'-P-C4' energy: -76.123
flat angles P-C4'-P energy: -42.819
tors. eta vs tors. theta energy: -39.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -612.417050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.417050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.417050 (E_RNA)
where:
Base-Base interactions energy: -336.208
where: short stacking energy: -173.330
Base-Backbone interact. energy: 1.737
local terms energy: -277.945971
where:
bonds (distance) C4'-P energy: -68.160
bonds (distance) P-C4' energy: -79.994
flat angles C4'-P-C4' energy: -68.106
flat angles P-C4'-P energy: -47.641
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -585.117820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.117820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.117820 (E_RNA)
where:
Base-Base interactions energy: -335.554
where: short stacking energy: -157.617
Base-Backbone interact. energy: -1.958
local terms energy: -247.606019
where:
bonds (distance) C4'-P energy: -73.514
bonds (distance) P-C4' energy: -55.131
flat angles C4'-P-C4' energy: -59.716
flat angles P-C4'-P energy: -43.039
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -353.903538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.903538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.903538 (E_RNA)
where:
Base-Base interactions energy: -151.825
where: short stacking energy: -92.254
Base-Backbone interact. energy: 1.254
local terms energy: -203.332716
where:
bonds (distance) C4'-P energy: -69.148
bonds (distance) P-C4' energy: -57.649
flat angles C4'-P-C4' energy: -55.653
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -307.345958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.345958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.345958 (E_RNA)
where:
Base-Base interactions energy: -86.241
where: short stacking energy: -52.938
Base-Backbone interact. energy: -1.108
local terms energy: -219.996337
where:
bonds (distance) C4'-P energy: -62.963
bonds (distance) P-C4' energy: -64.934
flat angles C4'-P-C4' energy: -79.589
flat angles P-C4'-P energy: -39.232
tors. eta vs tors. theta energy: 26.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1222.572949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.572949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.572949 (E_RNA)
where:
Base-Base interactions energy: -805.345
where: short stacking energy: -341.976
Base-Backbone interact. energy: 0.161
local terms energy: -417.389422
where:
bonds (distance) C4'-P energy: -88.372
bonds (distance) P-C4' energy: -85.338
flat angles C4'-P-C4' energy: -85.725
flat angles P-C4'-P energy: -63.562
tors. eta vs tors. theta energy: -94.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1139.437574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.437574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.437574 (E_RNA)
where:
Base-Base interactions energy: -739.584
where: short stacking energy: -337.013
Base-Backbone interact. energy: -3.072
local terms energy: -396.781094
where:
bonds (distance) C4'-P energy: -80.475
bonds (distance) P-C4' energy: -77.331
flat angles C4'-P-C4' energy: -86.151
flat angles P-C4'-P energy: -61.756
tors. eta vs tors. theta energy: -91.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1082.103923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.103923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.103923 (E_RNA)
where:
Base-Base interactions energy: -683.988
where: short stacking energy: -310.815
Base-Backbone interact. energy: -3.700
local terms energy: -394.416215
where:
bonds (distance) C4'-P energy: -77.400
bonds (distance) P-C4' energy: -85.995
flat angles C4'-P-C4' energy: -91.072
flat angles P-C4'-P energy: -57.732
tors. eta vs tors. theta energy: -82.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -917.875219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.875219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.875219 (E_RNA)
where:
Base-Base interactions energy: -605.621
where: short stacking energy: -303.117
Base-Backbone interact. energy: -1.127
local terms energy: -311.127044
where:
bonds (distance) C4'-P energy: -56.833
bonds (distance) P-C4' energy: -68.572
flat angles C4'-P-C4' energy: -75.851
flat angles P-C4'-P energy: -42.372
tors. eta vs tors. theta energy: -67.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -899.107135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.107135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.107135 (E_RNA)
where:
Base-Base interactions energy: -545.225
where: short stacking energy: -252.529
Base-Backbone interact. energy: -0.094
local terms energy: -353.788113
where:
bonds (distance) C4'-P energy: -78.279
bonds (distance) P-C4' energy: -76.713
flat angles C4'-P-C4' energy: -89.817
flat angles P-C4'-P energy: -53.599
tors. eta vs tors. theta energy: -55.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -706.790890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.790890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.790890 (E_RNA)
where:
Base-Base interactions energy: -431.661
where: short stacking energy: -189.149
Base-Backbone interact. energy: 0.466
local terms energy: -275.595651
where:
bonds (distance) C4'-P energy: -58.703
bonds (distance) P-C4' energy: -69.347
flat angles C4'-P-C4' energy: -70.344
flat angles P-C4'-P energy: -48.146
tors. eta vs tors. theta energy: -29.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -596.865221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.865221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.865221 (E_RNA)
where:
Base-Base interactions energy: -343.378
where: short stacking energy: -170.168
Base-Backbone interact. energy: -2.929
local terms energy: -250.558836
where:
bonds (distance) C4'-P energy: -67.773
bonds (distance) P-C4' energy: -63.222
flat angles C4'-P-C4' energy: -67.445
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -550.165864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.165864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.165864 (E_RNA)
where:
Base-Base interactions energy: -297.764
where: short stacking energy: -141.645
Base-Backbone interact. energy: 1.496
local terms energy: -253.898114
where:
bonds (distance) C4'-P energy: -64.650
bonds (distance) P-C4' energy: -75.778
flat angles C4'-P-C4' energy: -62.104
flat angles P-C4'-P energy: -40.627
tors. eta vs tors. theta energy: -10.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -366.184845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.184845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.184845 (E_RNA)
where:
Base-Base interactions energy: -152.989
where: short stacking energy: -112.990
Base-Backbone interact. energy: 3.553
local terms energy: -216.748458
where:
bonds (distance) C4'-P energy: -55.948
bonds (distance) P-C4' energy: -58.186
flat angles C4'-P-C4' energy: -53.365
flat angles P-C4'-P energy: -39.176
tors. eta vs tors. theta energy: -10.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -347.782820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.782820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.782820 (E_RNA)
where:
Base-Base interactions energy: -149.263
where: short stacking energy: -99.307
Base-Backbone interact. energy: -2.392
local terms energy: -196.127998
where:
bonds (distance) C4'-P energy: -61.113
bonds (distance) P-C4' energy: -67.161
flat angles C4'-P-C4' energy: -52.868
flat angles P-C4'-P energy: -35.904
tors. eta vs tors. theta energy: 20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1202.401524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.401524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.401524 (E_RNA)
where:
Base-Base interactions energy: -804.343
where: short stacking energy: -349.447
Base-Backbone interact. energy: -2.085
local terms energy: -395.972746
where:
bonds (distance) C4'-P energy: -72.824
bonds (distance) P-C4' energy: -80.163
flat angles C4'-P-C4' energy: -84.367
flat angles P-C4'-P energy: -60.014
tors. eta vs tors. theta energy: -98.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1097.863878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.863878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.863878 (E_RNA)
where:
Base-Base interactions energy: -718.573
where: short stacking energy: -312.169
Base-Backbone interact. energy: 0.610
local terms energy: -379.901660
where:
bonds (distance) C4'-P energy: -80.687
bonds (distance) P-C4' energy: -77.155
flat angles C4'-P-C4' energy: -83.807
flat angles P-C4'-P energy: -56.703
tors. eta vs tors. theta energy: -81.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1074.061576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.061576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.061576 (E_RNA)
where:
Base-Base interactions energy: -695.852
where: short stacking energy: -303.753
Base-Backbone interact. energy: -2.354
local terms energy: -375.856048
where:
bonds (distance) C4'-P energy: -67.760
bonds (distance) P-C4' energy: -84.950
flat angles C4'-P-C4' energy: -77.725
flat angles P-C4'-P energy: -54.715
tors. eta vs tors. theta energy: -90.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -918.122123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.122123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.122123 (E_RNA)
where:
Base-Base interactions energy: -583.124
where: short stacking energy: -267.849
Base-Backbone interact. energy: -0.188
local terms energy: -334.810178
where:
bonds (distance) C4'-P energy: -62.593
bonds (distance) P-C4' energy: -79.679
flat angles C4'-P-C4' energy: -73.603
flat angles P-C4'-P energy: -41.861
tors. eta vs tors. theta energy: -77.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -869.520494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.520494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.520494 (E_RNA)
where:
Base-Base interactions energy: -555.765
where: short stacking energy: -234.160
Base-Backbone interact. energy: -4.021
local terms energy: -309.734731
where:
bonds (distance) C4'-P energy: -63.411
bonds (distance) P-C4' energy: -70.953
flat angles C4'-P-C4' energy: -77.243
flat angles P-C4'-P energy: -49.922
tors. eta vs tors. theta energy: -48.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -787.535970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.535970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.535970 (E_RNA)
where:
Base-Base interactions energy: -485.652
where: short stacking energy: -241.531
Base-Backbone interact. energy: -1.809
local terms energy: -300.074651
where:
bonds (distance) C4'-P energy: -73.372
bonds (distance) P-C4' energy: -71.146
flat angles C4'-P-C4' energy: -57.691
flat angles P-C4'-P energy: -44.778
tors. eta vs tors. theta energy: -53.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -584.429310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.429310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.429310 (E_RNA)
where:
Base-Base interactions energy: -314.962
where: short stacking energy: -165.707
Base-Backbone interact. energy: 1.993
local terms energy: -271.460278
where:
bonds (distance) C4'-P energy: -65.983
bonds (distance) P-C4' energy: -77.291
flat angles C4'-P-C4' energy: -67.431
flat angles P-C4'-P energy: -30.168
tors. eta vs tors. theta energy: -30.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -516.531387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.531387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.531387 (E_RNA)
where:
Base-Base interactions energy: -270.384
where: short stacking energy: -140.966
Base-Backbone interact. energy: 2.351
local terms energy: -248.498418
where:
bonds (distance) C4'-P energy: -53.171
bonds (distance) P-C4' energy: -78.961
flat angles C4'-P-C4' energy: -63.505
flat angles P-C4'-P energy: -39.056
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -338.763190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.763190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.763190 (E_RNA)
where:
Base-Base interactions energy: -132.465
where: short stacking energy: -86.878
Base-Backbone interact. energy: -2.025
local terms energy: -204.273528
where:
bonds (distance) C4'-P energy: -78.547
bonds (distance) P-C4' energy: -65.182
flat angles C4'-P-C4' energy: -63.821
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: 27.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -320.583024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.583024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.583024 (E_RNA)
where:
Base-Base interactions energy: -119.750
where: short stacking energy: -87.428
Base-Backbone interact. energy: 2.401
local terms energy: -203.234513
where:
bonds (distance) C4'-P energy: -72.827
bonds (distance) P-C4' energy: -72.557
flat angles C4'-P-C4' energy: -41.573
flat angles P-C4'-P energy: -38.024
tors. eta vs tors. theta energy: 21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1219.927622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.927622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.927622 (E_RNA)
where:
Base-Base interactions energy: -798.144
where: short stacking energy: -335.330
Base-Backbone interact. energy: -0.640
local terms energy: -421.143664
where:
bonds (distance) C4'-P energy: -80.168
bonds (distance) P-C4' energy: -84.368
flat angles C4'-P-C4' energy: -86.356
flat angles P-C4'-P energy: -66.836
tors. eta vs tors. theta energy: -103.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1131.383374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.383374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.383374 (E_RNA)
where:
Base-Base interactions energy: -757.119
where: short stacking energy: -317.182
Base-Backbone interact. energy: 0.666
local terms energy: -374.930755
where:
bonds (distance) C4'-P energy: -69.835
bonds (distance) P-C4' energy: -74.577
flat angles C4'-P-C4' energy: -82.090
flat angles P-C4'-P energy: -52.958
tors. eta vs tors. theta energy: -95.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1094.350237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.350237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.350237 (E_RNA)
where:
Base-Base interactions energy: -706.845
where: short stacking energy: -332.587
Base-Backbone interact. energy: -2.016
local terms energy: -385.489411
where:
bonds (distance) C4'-P energy: -66.339
bonds (distance) P-C4' energy: -83.630
flat angles C4'-P-C4' energy: -88.209
flat angles P-C4'-P energy: -56.903
tors. eta vs tors. theta energy: -90.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -978.742338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.742338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.742338 (E_RNA)
where:
Base-Base interactions energy: -626.622
where: short stacking energy: -287.463
Base-Backbone interact. energy: -1.175
local terms energy: -350.945015
where:
bonds (distance) C4'-P energy: -67.557
bonds (distance) P-C4' energy: -70.220
flat angles C4'-P-C4' energy: -73.481
flat angles P-C4'-P energy: -60.792
tors. eta vs tors. theta energy: -78.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -886.318062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.318062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.318062 (E_RNA)
where:
Base-Base interactions energy: -569.993
where: short stacking energy: -261.343
Base-Backbone interact. energy: -2.090
local terms energy: -314.234778
where:
bonds (distance) C4'-P energy: -66.060
bonds (distance) P-C4' energy: -63.647
flat angles C4'-P-C4' energy: -72.747
flat angles P-C4'-P energy: -43.053
tors. eta vs tors. theta energy: -68.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -825.996944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.996944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.996944 (E_RNA)
where:
Base-Base interactions energy: -508.026
where: short stacking energy: -220.717
Base-Backbone interact. energy: 0.891
local terms energy: -318.862058
where:
bonds (distance) C4'-P energy: -66.070
bonds (distance) P-C4' energy: -80.148
flat angles C4'-P-C4' energy: -72.594
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -56.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -549.266647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.266647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.266647 (E_RNA)
where:
Base-Base interactions energy: -293.599
where: short stacking energy: -148.583
Base-Backbone interact. energy: -0.401
local terms energy: -255.266573
where:
bonds (distance) C4'-P energy: -79.153
bonds (distance) P-C4' energy: -61.968
flat angles C4'-P-C4' energy: -72.874
flat angles P-C4'-P energy: -34.648
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -525.458958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.458958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.458958 (E_RNA)
where:
Base-Base interactions energy: -266.787
where: short stacking energy: -167.333
Base-Backbone interact. energy: -1.087
local terms energy: -257.584787
where:
bonds (distance) C4'-P energy: -63.533
bonds (distance) P-C4' energy: -71.437
flat angles C4'-P-C4' energy: -66.925
flat angles P-C4'-P energy: -28.990
tors. eta vs tors. theta energy: -26.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -347.972801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.972801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.972801 (E_RNA)
where:
Base-Base interactions energy: -119.285
where: short stacking energy: -101.152
Base-Backbone interact. energy: -0.121
local terms energy: -228.567292
where:
bonds (distance) C4'-P energy: -59.632
bonds (distance) P-C4' energy: -74.467
flat angles C4'-P-C4' energy: -59.282
flat angles P-C4'-P energy: -33.776
tors. eta vs tors. theta energy: -1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -331.109894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.109894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.109894 (E_RNA)
where:
Base-Base interactions energy: -130.481
where: short stacking energy: -99.284
Base-Backbone interact. energy: -0.283
local terms energy: -200.345198
where:
bonds (distance) C4'-P energy: -61.817
bonds (distance) P-C4' energy: -61.996
flat angles C4'-P-C4' energy: -53.790
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: 17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1236.574527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.574527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.574527 (E_RNA)
where:
Base-Base interactions energy: -831.073
where: short stacking energy: -380.579
Base-Backbone interact. energy: -2.354
local terms energy: -403.146978
where:
bonds (distance) C4'-P energy: -85.129
bonds (distance) P-C4' energy: -76.719
flat angles C4'-P-C4' energy: -84.071
flat angles P-C4'-P energy: -49.842
tors. eta vs tors. theta energy: -107.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1133.420470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.420470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.420470 (E_RNA)
where:
Base-Base interactions energy: -732.740
where: short stacking energy: -332.853
Base-Backbone interact. energy: -1.965
local terms energy: -398.715482
where:
bonds (distance) C4'-P energy: -69.119
bonds (distance) P-C4' energy: -87.278
flat angles C4'-P-C4' energy: -84.915
flat angles P-C4'-P energy: -56.104
tors. eta vs tors. theta energy: -101.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1070.514836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.514836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.514836 (E_RNA)
where:
Base-Base interactions energy: -700.268
where: short stacking energy: -317.312
Base-Backbone interact. energy: -3.557
local terms energy: -366.689613
where:
bonds (distance) C4'-P energy: -61.938
bonds (distance) P-C4' energy: -73.305
flat angles C4'-P-C4' energy: -87.369
flat angles P-C4'-P energy: -55.516
tors. eta vs tors. theta energy: -88.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -971.396377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.396377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.396377 (E_RNA)
where:
Base-Base interactions energy: -627.116
where: short stacking energy: -295.649
Base-Backbone interact. energy: 1.605
local terms energy: -345.885189
where:
bonds (distance) C4'-P energy: -72.282
bonds (distance) P-C4' energy: -75.033
flat angles C4'-P-C4' energy: -78.002
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: -76.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -900.800057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.800057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.800057 (E_RNA)
where:
Base-Base interactions energy: -568.337
where: short stacking energy: -286.172
Base-Backbone interact. energy: -2.830
local terms energy: -329.632745
where:
bonds (distance) C4'-P energy: -72.272
bonds (distance) P-C4' energy: -72.253
flat angles C4'-P-C4' energy: -72.766
flat angles P-C4'-P energy: -42.718
tors. eta vs tors. theta energy: -69.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -798.071470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.071470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.071470 (E_RNA)
where:
Base-Base interactions energy: -495.375
where: short stacking energy: -227.321
Base-Backbone interact. energy: -0.070
local terms energy: -302.627194
where:
bonds (distance) C4'-P energy: -70.037
bonds (distance) P-C4' energy: -59.645
flat angles C4'-P-C4' energy: -78.089
flat angles P-C4'-P energy: -43.202
tors. eta vs tors. theta energy: -51.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -569.772113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.772113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.772113 (E_RNA)
where:
Base-Base interactions energy: -290.715
where: short stacking energy: -163.193
Base-Backbone interact. energy: -1.505
local terms energy: -277.552669
where:
bonds (distance) C4'-P energy: -69.530
bonds (distance) P-C4' energy: -71.372
flat angles C4'-P-C4' energy: -65.370
flat angles P-C4'-P energy: -40.224
tors. eta vs tors. theta energy: -31.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -462.359259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.359259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.359259 (E_RNA)
where:
Base-Base interactions energy: -215.676
where: short stacking energy: -119.420
Base-Backbone interact. energy: 0.790
local terms energy: -247.473423
where:
bonds (distance) C4'-P energy: -61.595
bonds (distance) P-C4' energy: -76.516
flat angles C4'-P-C4' energy: -54.965
flat angles P-C4'-P energy: -44.935
tors. eta vs tors. theta energy: -9.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -354.443407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.443407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.443407 (E_RNA)
where:
Base-Base interactions energy: -141.305
where: short stacking energy: -94.557
Base-Backbone interact. energy: -0.124
local terms energy: -213.014145
where:
bonds (distance) C4'-P energy: -68.190
bonds (distance) P-C4' energy: -66.019
flat angles C4'-P-C4' energy: -56.573
flat angles P-C4'-P energy: -28.637
tors. eta vs tors. theta energy: 6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -325.898014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.898014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.898014 (E_RNA)
where:
Base-Base interactions energy: -108.496
where: short stacking energy: -82.597
Base-Backbone interact. energy: -3.346
local terms energy: -214.055927
where:
bonds (distance) C4'-P energy: -62.080
bonds (distance) P-C4' energy: -74.492
flat angles C4'-P-C4' energy: -59.784
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: 23.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1237.363151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.363151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.363151 (E_RNA)
where:
Base-Base interactions energy: -815.444
where: short stacking energy: -361.189
Base-Backbone interact. energy: -3.588
local terms energy: -418.331026
where:
bonds (distance) C4'-P energy: -84.294
bonds (distance) P-C4' energy: -87.489
flat angles C4'-P-C4' energy: -95.301
flat angles P-C4'-P energy: -46.422
tors. eta vs tors. theta energy: -104.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1132.331356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.331356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.331356 (E_RNA)
where:
Base-Base interactions energy: -760.939
where: short stacking energy: -322.723
Base-Backbone interact. energy: -2.288
local terms energy: -369.104843
where:
bonds (distance) C4'-P energy: -61.360
bonds (distance) P-C4' energy: -87.802
flat angles C4'-P-C4' energy: -67.216
flat angles P-C4'-P energy: -66.271
tors. eta vs tors. theta energy: -86.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1069.132263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.132263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.132263 (E_RNA)
where:
Base-Base interactions energy: -686.195
where: short stacking energy: -305.052
Base-Backbone interact. energy: -2.995
local terms energy: -379.942870
where:
bonds (distance) C4'-P energy: -73.976
bonds (distance) P-C4' energy: -78.396
flat angles C4'-P-C4' energy: -89.450
flat angles P-C4'-P energy: -52.055
tors. eta vs tors. theta energy: -86.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -973.625462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.625462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.625462 (E_RNA)
where:
Base-Base interactions energy: -623.190
where: short stacking energy: -275.872
Base-Backbone interact. energy: -1.189
local terms energy: -349.246031
where:
bonds (distance) C4'-P energy: -67.836
bonds (distance) P-C4' energy: -70.777
flat angles C4'-P-C4' energy: -84.549
flat angles P-C4'-P energy: -53.218
tors. eta vs tors. theta energy: -72.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -868.178029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.178029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.178029 (E_RNA)
where:
Base-Base interactions energy: -552.366
where: short stacking energy: -233.511
Base-Backbone interact. energy: -0.640
local terms energy: -315.172021
where:
bonds (distance) C4'-P energy: -68.894
bonds (distance) P-C4' energy: -73.063
flat angles C4'-P-C4' energy: -70.284
flat angles P-C4'-P energy: -54.612
tors. eta vs tors. theta energy: -48.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -801.050971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.050971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.050971 (E_RNA)
where:
Base-Base interactions energy: -503.096
where: short stacking energy: -210.277
Base-Backbone interact. energy: -4.331
local terms energy: -293.623853
where:
bonds (distance) C4'-P energy: -57.361
bonds (distance) P-C4' energy: -77.612
flat angles C4'-P-C4' energy: -69.037
flat angles P-C4'-P energy: -50.040
tors. eta vs tors. theta energy: -39.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -569.723269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.723269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.723269 (E_RNA)
where:
Base-Base interactions energy: -288.074
where: short stacking energy: -158.265
Base-Backbone interact. energy: 1.445
local terms energy: -283.094107
where:
bonds (distance) C4'-P energy: -73.737
bonds (distance) P-C4' energy: -71.991
flat angles C4'-P-C4' energy: -79.502
flat angles P-C4'-P energy: -37.975
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -447.037558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.037558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.037558 (E_RNA)
where:
Base-Base interactions energy: -213.607
where: short stacking energy: -147.982
Base-Backbone interact. energy: -0.368
local terms energy: -233.062804
where:
bonds (distance) C4'-P energy: -66.634
bonds (distance) P-C4' energy: -74.521
flat angles C4'-P-C4' energy: -53.822
flat angles P-C4'-P energy: -34.452
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -405.320444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.320444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.320444 (E_RNA)
where:
Base-Base interactions energy: -170.510
where: short stacking energy: -114.981
Base-Backbone interact. energy: 0.170
local terms energy: -234.979781
where:
bonds (distance) C4'-P energy: -54.391
bonds (distance) P-C4' energy: -79.634
flat angles C4'-P-C4' energy: -54.074
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -371.543592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.543592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.543592 (E_RNA)
where:
Base-Base interactions energy: -177.112
where: short stacking energy: -108.460
Base-Backbone interact. energy: 1.408
local terms energy: -195.839641
where:
bonds (distance) C4'-P energy: -53.615
bonds (distance) P-C4' energy: -61.730
flat angles C4'-P-C4' energy: -54.038
flat angles P-C4'-P energy: -34.825
tors. eta vs tors. theta energy: 8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1262.865579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.865579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.865579 (E_RNA)
where:
Base-Base interactions energy: -841.049
where: short stacking energy: -362.298
Base-Backbone interact. energy: -2.573
local terms energy: -419.243496
where:
bonds (distance) C4'-P energy: -83.194
bonds (distance) P-C4' energy: -78.624
flat angles C4'-P-C4' energy: -88.275
flat angles P-C4'-P energy: -60.083
tors. eta vs tors. theta energy: -109.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1131.745846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.745846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.745846 (E_RNA)
where:
Base-Base interactions energy: -760.142
where: short stacking energy: -328.699
Base-Backbone interact. energy: -1.088
local terms energy: -370.516464
where:
bonds (distance) C4'-P energy: -68.855
bonds (distance) P-C4' energy: -73.150
flat angles C4'-P-C4' energy: -72.852
flat angles P-C4'-P energy: -61.283
tors. eta vs tors. theta energy: -94.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1086.005190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.005190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.005190 (E_RNA)
where:
Base-Base interactions energy: -715.743
where: short stacking energy: -324.874
Base-Backbone interact. energy: 0.930
local terms energy: -371.192913
where:
bonds (distance) C4'-P energy: -65.213
bonds (distance) P-C4' energy: -72.131
flat angles C4'-P-C4' energy: -84.771
flat angles P-C4'-P energy: -58.597
tors. eta vs tors. theta energy: -90.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -998.649596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.649596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.649596 (E_RNA)
where:
Base-Base interactions energy: -644.028
where: short stacking energy: -320.127
Base-Backbone interact. energy: -0.656
local terms energy: -353.965350
where:
bonds (distance) C4'-P energy: -75.324
bonds (distance) P-C4' energy: -76.936
flat angles C4'-P-C4' energy: -78.201
flat angles P-C4'-P energy: -46.555
tors. eta vs tors. theta energy: -76.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -872.277084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.277084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.277084 (E_RNA)
where:
Base-Base interactions energy: -543.373
where: short stacking energy: -232.996
Base-Backbone interact. energy: -2.687
local terms energy: -326.217155
where:
bonds (distance) C4'-P energy: -65.624
bonds (distance) P-C4' energy: -68.617
flat angles C4'-P-C4' energy: -80.350
flat angles P-C4'-P energy: -47.945
tors. eta vs tors. theta energy: -63.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -823.533286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.533286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.533286 (E_RNA)
where:
Base-Base interactions energy: -489.732
where: short stacking energy: -229.677
Base-Backbone interact. energy: -1.539
local terms energy: -332.262730
where:
bonds (distance) C4'-P energy: -74.993
bonds (distance) P-C4' energy: -73.156
flat angles C4'-P-C4' energy: -76.152
flat angles P-C4'-P energy: -50.601
tors. eta vs tors. theta energy: -57.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -533.372988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.372988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.372988 (E_RNA)
where:
Base-Base interactions energy: -291.825
where: short stacking energy: -154.279
Base-Backbone interact. energy: 4.907
local terms energy: -246.454756
where:
bonds (distance) C4'-P energy: -66.730
bonds (distance) P-C4' energy: -76.540
flat angles C4'-P-C4' energy: -57.540
flat angles P-C4'-P energy: -35.397
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -462.163796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.163796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.163796 (E_RNA)
where:
Base-Base interactions energy: -208.047
where: short stacking energy: -153.166
Base-Backbone interact. energy: 1.212
local terms energy: -255.328332
where:
bonds (distance) C4'-P energy: -75.026
bonds (distance) P-C4' energy: -70.838
flat angles C4'-P-C4' energy: -64.356
flat angles P-C4'-P energy: -38.599
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -395.740483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.740483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.740483 (E_RNA)
where:
Base-Base interactions energy: -179.027
where: short stacking energy: -104.780
Base-Backbone interact. energy: 6.144
local terms energy: -222.857356
where:
bonds (distance) C4'-P energy: -60.139
bonds (distance) P-C4' energy: -82.115
flat angles C4'-P-C4' energy: -59.007
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: 16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -355.579894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.579894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.579894 (E_RNA)
where:
Base-Base interactions energy: -157.821
where: short stacking energy: -91.752
Base-Backbone interact. energy: 3.313
local terms energy: -201.071701
where:
bonds (distance) C4'-P energy: -61.488
bonds (distance) P-C4' energy: -56.710
flat angles C4'-P-C4' energy: -67.896
flat angles P-C4'-P energy: -32.605
tors. eta vs tors. theta energy: 17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1248.937270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.937270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.937270 (E_RNA)
where:
Base-Base interactions energy: -838.381
where: short stacking energy: -363.950
Base-Backbone interact. energy: -1.755
local terms energy: -408.800973
where:
bonds (distance) C4'-P energy: -81.802
bonds (distance) P-C4' energy: -79.883
flat angles C4'-P-C4' energy: -88.364
flat angles P-C4'-P energy: -48.591
tors. eta vs tors. theta energy: -110.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1127.441379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.441379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.441379 (E_RNA)
where:
Base-Base interactions energy: -740.650
where: short stacking energy: -331.116
Base-Backbone interact. energy: -2.440
local terms energy: -384.351764
where:
bonds (distance) C4'-P energy: -75.207
bonds (distance) P-C4' energy: -73.078
flat angles C4'-P-C4' energy: -85.540
flat angles P-C4'-P energy: -52.330
tors. eta vs tors. theta energy: -98.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1096.704851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.704851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.704851 (E_RNA)
where:
Base-Base interactions energy: -718.486
where: short stacking energy: -319.791
Base-Backbone interact. energy: -1.387
local terms energy: -376.831895
where:
bonds (distance) C4'-P energy: -74.141
bonds (distance) P-C4' energy: -75.592
flat angles C4'-P-C4' energy: -84.385
flat angles P-C4'-P energy: -61.322
tors. eta vs tors. theta energy: -81.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -997.376593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.376593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.376593 (E_RNA)
where:
Base-Base interactions energy: -617.201
where: short stacking energy: -298.079
Base-Backbone interact. energy: -1.190
local terms energy: -378.985457
where:
bonds (distance) C4'-P energy: -76.906
bonds (distance) P-C4' energy: -80.422
flat angles C4'-P-C4' energy: -83.820
flat angles P-C4'-P energy: -52.844
tors. eta vs tors. theta energy: -84.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -876.724212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.724212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.724212 (E_RNA)
where:
Base-Base interactions energy: -565.071
where: short stacking energy: -237.579
Base-Backbone interact. energy: -1.502
local terms energy: -310.150602
where:
bonds (distance) C4'-P energy: -67.575
bonds (distance) P-C4' energy: -74.658
flat angles C4'-P-C4' energy: -75.681
flat angles P-C4'-P energy: -43.315
tors. eta vs tors. theta energy: -48.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -908.422363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.422363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.422363 (E_RNA)
where:
Base-Base interactions energy: -583.958
where: short stacking energy: -245.072
Base-Backbone interact. energy: -1.378
local terms energy: -323.087139
where:
bonds (distance) C4'-P energy: -70.201
bonds (distance) P-C4' energy: -76.944
flat angles C4'-P-C4' energy: -66.574
flat angles P-C4'-P energy: -46.241
tors. eta vs tors. theta energy: -63.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -534.409327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.409327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.409327 (E_RNA)
where:
Base-Base interactions energy: -272.719
where: short stacking energy: -168.107
Base-Backbone interact. energy: 0.765
local terms energy: -262.455218
where:
bonds (distance) C4'-P energy: -74.700
bonds (distance) P-C4' energy: -67.185
flat angles C4'-P-C4' energy: -57.245
flat angles P-C4'-P energy: -43.732
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -406.704372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.704372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.704372 (E_RNA)
where:
Base-Base interactions energy: -171.852
where: short stacking energy: -110.153
Base-Backbone interact. energy: -3.461
local terms energy: -231.391619
where:
bonds (distance) C4'-P energy: -59.936
bonds (distance) P-C4' energy: -77.672
flat angles C4'-P-C4' energy: -63.250
flat angles P-C4'-P energy: -35.068
tors. eta vs tors. theta energy: 4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -417.291015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.291015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.291015 (E_RNA)
where:
Base-Base interactions energy: -180.363
where: short stacking energy: -90.931
Base-Backbone interact. energy: -1.078
local terms energy: -235.849994
where:
bonds (distance) C4'-P energy: -70.384
bonds (distance) P-C4' energy: -59.145
flat angles C4'-P-C4' energy: -62.920
flat angles P-C4'-P energy: -35.331
tors. eta vs tors. theta energy: -8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -397.322222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.322222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.322222 (E_RNA)
where:
Base-Base interactions energy: -221.017
where: short stacking energy: -111.468
Base-Backbone interact. energy: 0.986
local terms energy: -177.291419
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -63.051
flat angles C4'-P-C4' energy: -54.473
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: 4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1245.508892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.508892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.508892 (E_RNA)
where:
Base-Base interactions energy: -856.259
where: short stacking energy: -361.568
Base-Backbone interact. energy: 0.844
local terms energy: -390.093538
where:
bonds (distance) C4'-P energy: -78.170
bonds (distance) P-C4' energy: -70.267
flat angles C4'-P-C4' energy: -87.735
flat angles P-C4'-P energy: -55.368
tors. eta vs tors. theta energy: -98.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1108.326637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.326637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.326637 (E_RNA)
where:
Base-Base interactions energy: -723.687
where: short stacking energy: -322.140
Base-Backbone interact. energy: -1.883
local terms energy: -382.756909
where:
bonds (distance) C4'-P energy: -77.247
bonds (distance) P-C4' energy: -72.608
flat angles C4'-P-C4' energy: -81.923
flat angles P-C4'-P energy: -62.922
tors. eta vs tors. theta energy: -88.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1096.015168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.015168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.015168 (E_RNA)
where:
Base-Base interactions energy: -723.706
where: short stacking energy: -323.656
Base-Backbone interact. energy: -2.374
local terms energy: -369.935978
where:
bonds (distance) C4'-P energy: -64.845
bonds (distance) P-C4' energy: -71.580
flat angles C4'-P-C4' energy: -81.886
flat angles P-C4'-P energy: -60.540
tors. eta vs tors. theta energy: -91.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1012.939697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.939697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.939697 (E_RNA)
where:
Base-Base interactions energy: -624.586
where: short stacking energy: -297.124
Base-Backbone interact. energy: 0.024
local terms energy: -388.378194
where:
bonds (distance) C4'-P energy: -78.964
bonds (distance) P-C4' energy: -84.669
flat angles C4'-P-C4' energy: -82.631
flat angles P-C4'-P energy: -61.318
tors. eta vs tors. theta energy: -80.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -872.315478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.315478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.315478 (E_RNA)
where:
Base-Base interactions energy: -527.901
where: short stacking energy: -277.173
Base-Backbone interact. energy: 1.202
local terms energy: -345.616655
where:
bonds (distance) C4'-P energy: -57.719
bonds (distance) P-C4' energy: -78.061
flat angles C4'-P-C4' energy: -74.602
flat angles P-C4'-P energy: -60.427
tors. eta vs tors. theta energy: -74.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -971.521099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.521099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.521099 (E_RNA)
where:
Base-Base interactions energy: -611.884
where: short stacking energy: -265.288
Base-Backbone interact. energy: -0.955
local terms energy: -358.682760
where:
bonds (distance) C4'-P energy: -76.404
bonds (distance) P-C4' energy: -76.659
flat angles C4'-P-C4' energy: -69.877
flat angles P-C4'-P energy: -59.508
tors. eta vs tors. theta energy: -76.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -534.867443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.867443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.867443 (E_RNA)
where:
Base-Base interactions energy: -265.050
where: short stacking energy: -125.489
Base-Backbone interact. energy: -1.746
local terms energy: -268.070988
where:
bonds (distance) C4'-P energy: -86.599
bonds (distance) P-C4' energy: -68.431
flat angles C4'-P-C4' energy: -56.303
flat angles P-C4'-P energy: -46.092
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -415.378202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.378202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.378202 (E_RNA)
where:
Base-Base interactions energy: -168.871
where: short stacking energy: -103.463
Base-Backbone interact. energy: 3.761
local terms energy: -250.267451
where:
bonds (distance) C4'-P energy: -86.295
bonds (distance) P-C4' energy: -66.837
flat angles C4'-P-C4' energy: -72.500
flat angles P-C4'-P energy: -39.669
tors. eta vs tors. theta energy: 15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -458.578316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.578316 (E_RNA)
where:
Base-Base interactions energy: -235.066
where: short stacking energy: -134.777
Base-Backbone interact. energy: -0.041
local terms energy: -223.472034
where:
bonds (distance) C4'-P energy: -57.664
bonds (distance) P-C4' energy: -71.235
flat angles C4'-P-C4' energy: -57.065
flat angles P-C4'-P energy: -34.448
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -376.470562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.470562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.470562 (E_RNA)
where:
Base-Base interactions energy: -143.426
where: short stacking energy: -98.758
Base-Backbone interact. energy: -0.031
local terms energy: -233.012789
where:
bonds (distance) C4'-P energy: -69.544
bonds (distance) P-C4' energy: -72.318
flat angles C4'-P-C4' energy: -58.490
flat angles P-C4'-P energy: -33.553
tors. eta vs tors. theta energy: 0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1250.497689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.497689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.497689 (E_RNA)
where:
Base-Base interactions energy: -821.755
where: short stacking energy: -362.720
Base-Backbone interact. energy: -4.762
local terms energy: -423.980865
where:
bonds (distance) C4'-P energy: -85.581
bonds (distance) P-C4' energy: -86.750
flat angles C4'-P-C4' energy: -87.088
flat angles P-C4'-P energy: -55.846
tors. eta vs tors. theta energy: -108.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1144.530628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.530628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.530628 (E_RNA)
where:
Base-Base interactions energy: -758.054
where: short stacking energy: -345.633
Base-Backbone interact. energy: -1.697
local terms energy: -384.779764
where:
bonds (distance) C4'-P energy: -78.463
bonds (distance) P-C4' energy: -71.644
flat angles C4'-P-C4' energy: -81.276
flat angles P-C4'-P energy: -56.905
tors. eta vs tors. theta energy: -96.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1110.654037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.654037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.654037 (E_RNA)
where:
Base-Base interactions energy: -723.706
where: short stacking energy: -341.920
Base-Backbone interact. energy: 3.002
local terms energy: -389.949930
where:
bonds (distance) C4'-P energy: -73.429
bonds (distance) P-C4' energy: -89.647
flat angles C4'-P-C4' energy: -78.701
flat angles P-C4'-P energy: -51.332
tors. eta vs tors. theta energy: -96.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1012.132780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.132780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.132780 (E_RNA)
where:
Base-Base interactions energy: -645.182
where: short stacking energy: -298.013
Base-Backbone interact. energy: 0.183
local terms energy: -367.133854
where:
bonds (distance) C4'-P energy: -74.463
bonds (distance) P-C4' energy: -83.075
flat angles C4'-P-C4' energy: -76.659
flat angles P-C4'-P energy: -53.660
tors. eta vs tors. theta energy: -79.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -867.212489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.212489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.212489 (E_RNA)
where:
Base-Base interactions energy: -537.622
where: short stacking energy: -235.022
Base-Backbone interact. energy: -0.164
local terms energy: -329.426323
where:
bonds (distance) C4'-P energy: -77.009
bonds (distance) P-C4' energy: -70.994
flat angles C4'-P-C4' energy: -78.345
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -50.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -944.338151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.338151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.338151 (E_RNA)
where:
Base-Base interactions energy: -619.555
where: short stacking energy: -274.167
Base-Backbone interact. energy: -1.601
local terms energy: -323.183009
where:
bonds (distance) C4'-P energy: -61.835
bonds (distance) P-C4' energy: -68.987
flat angles C4'-P-C4' energy: -75.693
flat angles P-C4'-P energy: -41.272
tors. eta vs tors. theta energy: -75.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -527.403449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.403449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.403449 (E_RNA)
where:
Base-Base interactions energy: -256.655
where: short stacking energy: -156.358
Base-Backbone interact. energy: -0.722
local terms energy: -270.026964
where:
bonds (distance) C4'-P energy: -79.747
bonds (distance) P-C4' energy: -79.567
flat angles C4'-P-C4' energy: -59.608
flat angles P-C4'-P energy: -32.970
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -428.419534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.419534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.419534 (E_RNA)
where:
Base-Base interactions energy: -205.867
where: short stacking energy: -115.687
Base-Backbone interact. energy: -3.919
local terms energy: -218.633965
where:
bonds (distance) C4'-P energy: -64.163
bonds (distance) P-C4' energy: -79.081
flat angles C4'-P-C4' energy: -65.353
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: 11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -438.007799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.007799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.007799 (E_RNA)
where:
Base-Base interactions energy: -214.723
where: short stacking energy: -136.182
Base-Backbone interact. energy: 1.658
local terms energy: -224.942803
where:
bonds (distance) C4'-P energy: -60.651
bonds (distance) P-C4' energy: -59.459
flat angles C4'-P-C4' energy: -60.956
flat angles P-C4'-P energy: -37.115
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -399.848476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.848476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.848476 (E_RNA)
where:
Base-Base interactions energy: -179.728
where: short stacking energy: -108.482
Base-Backbone interact. energy: -1.531
local terms energy: -218.589128
where:
bonds (distance) C4'-P energy: -63.325
bonds (distance) P-C4' energy: -64.571
flat angles C4'-P-C4' energy: -52.576
flat angles P-C4'-P energy: -38.444
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1276.920564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.920564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.920564 (E_RNA)
where:
Base-Base interactions energy: -858.441
where: short stacking energy: -374.047
Base-Backbone interact. energy: -0.714
local terms energy: -417.766226
where:
bonds (distance) C4'-P energy: -81.975
bonds (distance) P-C4' energy: -78.515
flat angles C4'-P-C4' energy: -95.033
flat angles P-C4'-P energy: -54.585
tors. eta vs tors. theta energy: -107.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1135.000970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.000970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.000970 (E_RNA)
where:
Base-Base interactions energy: -751.254
where: short stacking energy: -352.723
Base-Backbone interact. energy: -0.495
local terms energy: -383.251198
where:
bonds (distance) C4'-P energy: -75.476
bonds (distance) P-C4' energy: -64.072
flat angles C4'-P-C4' energy: -84.398
flat angles P-C4'-P energy: -59.313
tors. eta vs tors. theta energy: -99.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1105.834523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.834523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.834523 (E_RNA)
where:
Base-Base interactions energy: -742.594
where: short stacking energy: -328.192
Base-Backbone interact. energy: -0.844
local terms energy: -362.396755
where:
bonds (distance) C4'-P energy: -73.177
bonds (distance) P-C4' energy: -72.768
flat angles C4'-P-C4' energy: -79.100
flat angles P-C4'-P energy: -42.310
tors. eta vs tors. theta energy: -95.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1006.619555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.619555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.619555 (E_RNA)
where:
Base-Base interactions energy: -634.861
where: short stacking energy: -297.872
Base-Backbone interact. energy: -1.253
local terms energy: -370.505644
where:
bonds (distance) C4'-P energy: -71.380
bonds (distance) P-C4' energy: -59.100
flat angles C4'-P-C4' energy: -86.724
flat angles P-C4'-P energy: -57.548
tors. eta vs tors. theta energy: -95.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -997.961509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.961509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.961509 (E_RNA)
where:
Base-Base interactions energy: -635.466
where: short stacking energy: -301.127
Base-Backbone interact. energy: -0.832
local terms energy: -361.663718
where:
bonds (distance) C4'-P energy: -64.330
bonds (distance) P-C4' energy: -78.452
flat angles C4'-P-C4' energy: -87.587
flat angles P-C4'-P energy: -50.790
tors. eta vs tors. theta energy: -80.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -808.420574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.420574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.420574 (E_RNA)
where:
Base-Base interactions energy: -486.868
where: short stacking energy: -223.837
Base-Backbone interact. energy: -2.162
local terms energy: -319.389890
where:
bonds (distance) C4'-P energy: -73.810
bonds (distance) P-C4' energy: -80.239
flat angles C4'-P-C4' energy: -60.437
flat angles P-C4'-P energy: -49.743
tors. eta vs tors. theta energy: -55.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -522.747482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.747482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.747482 (E_RNA)
where:
Base-Base interactions energy: -265.294
where: short stacking energy: -144.946
Base-Backbone interact. energy: -0.758
local terms energy: -256.695856
where:
bonds (distance) C4'-P energy: -61.844
bonds (distance) P-C4' energy: -74.640
flat angles C4'-P-C4' energy: -70.621
flat angles P-C4'-P energy: -38.256
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -420.096269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.096269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.096269 (E_RNA)
where:
Base-Base interactions energy: -171.031
where: short stacking energy: -116.601
Base-Backbone interact. energy: -0.582
local terms energy: -248.482580
where:
bonds (distance) C4'-P energy: -66.031
bonds (distance) P-C4' energy: -73.351
flat angles C4'-P-C4' energy: -65.150
flat angles P-C4'-P energy: -38.053
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -409.366451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.366451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.366451 (E_RNA)
where:
Base-Base interactions energy: -165.163
where: short stacking energy: -104.059
Base-Backbone interact. energy: -3.142
local terms energy: -241.061343
where:
bonds (distance) C4'-P energy: -71.385
bonds (distance) P-C4' energy: -74.060
flat angles C4'-P-C4' energy: -52.763
flat angles P-C4'-P energy: -44.013
tors. eta vs tors. theta energy: 1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -371.023577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.023577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.023577 (E_RNA)
where:
Base-Base interactions energy: -154.319
where: short stacking energy: -92.691
Base-Backbone interact. energy: -0.734
local terms energy: -215.970871
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -74.595
flat angles C4'-P-C4' energy: -57.053
flat angles P-C4'-P energy: -32.948
tors. eta vs tors. theta energy: 7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1293.763185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.763185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.763185 (E_RNA)
where:
Base-Base interactions energy: -870.174
where: short stacking energy: -348.192
Base-Backbone interact. energy: -5.216
local terms energy: -418.373761
where:
bonds (distance) C4'-P energy: -83.595
bonds (distance) P-C4' energy: -78.294
flat angles C4'-P-C4' energy: -95.323
flat angles P-C4'-P energy: -56.016
tors. eta vs tors. theta energy: -105.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1135.750516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.750516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.750516 (E_RNA)
where:
Base-Base interactions energy: -728.059
where: short stacking energy: -329.192
Base-Backbone interact. energy: -0.919
local terms energy: -406.772333
where:
bonds (distance) C4'-P energy: -67.631
bonds (distance) P-C4' energy: -83.735
flat angles C4'-P-C4' energy: -91.394
flat angles P-C4'-P energy: -63.019
tors. eta vs tors. theta energy: -100.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1134.249831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.249831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.249831 (E_RNA)
where:
Base-Base interactions energy: -744.346
where: short stacking energy: -329.311
Base-Backbone interact. energy: -1.237
local terms energy: -388.667077
where:
bonds (distance) C4'-P energy: -73.529
bonds (distance) P-C4' energy: -80.822
flat angles C4'-P-C4' energy: -87.299
flat angles P-C4'-P energy: -59.845
tors. eta vs tors. theta energy: -87.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1062.623319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.623319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.623319 (E_RNA)
where:
Base-Base interactions energy: -678.777
where: short stacking energy: -298.357
Base-Backbone interact. energy: -1.190
local terms energy: -382.655736
where:
bonds (distance) C4'-P energy: -81.954
bonds (distance) P-C4' energy: -79.353
flat angles C4'-P-C4' energy: -83.713
flat angles P-C4'-P energy: -50.167
tors. eta vs tors. theta energy: -87.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -988.705850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.705850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.705850 (E_RNA)
where:
Base-Base interactions energy: -621.510
where: short stacking energy: -286.545
Base-Backbone interact. energy: -0.522
local terms energy: -366.673901
where:
bonds (distance) C4'-P energy: -61.232
bonds (distance) P-C4' energy: -75.784
flat angles C4'-P-C4' energy: -84.353
flat angles P-C4'-P energy: -48.553
tors. eta vs tors. theta energy: -96.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -801.737491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.737491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.737491 (E_RNA)
where:
Base-Base interactions energy: -498.945
where: short stacking energy: -224.266
Base-Backbone interact. energy: 6.678
local terms energy: -309.470195
where:
bonds (distance) C4'-P energy: -64.968
bonds (distance) P-C4' energy: -77.536
flat angles C4'-P-C4' energy: -68.776
flat angles P-C4'-P energy: -45.793
tors. eta vs tors. theta energy: -52.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -519.271929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.271929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.271929 (E_RNA)
where:
Base-Base interactions energy: -272.318
where: short stacking energy: -147.129
Base-Backbone interact. energy: 0.094
local terms energy: -247.047786
where:
bonds (distance) C4'-P energy: -72.800
bonds (distance) P-C4' energy: -72.172
flat angles C4'-P-C4' energy: -53.290
flat angles P-C4'-P energy: -37.148
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -450.729366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.729366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.729366 (E_RNA)
where:
Base-Base interactions energy: -219.555
where: short stacking energy: -130.737
Base-Backbone interact. energy: -0.984
local terms energy: -230.190791
where:
bonds (distance) C4'-P energy: -64.235
bonds (distance) P-C4' energy: -82.370
flat angles C4'-P-C4' energy: -65.479
flat angles P-C4'-P energy: -24.446
tors. eta vs tors. theta energy: 6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -376.846786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.846786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.846786 (E_RNA)
where:
Base-Base interactions energy: -135.880
where: short stacking energy: -96.226
Base-Backbone interact. energy: -1.455
local terms energy: -239.512279
where:
bonds (distance) C4'-P energy: -62.791
bonds (distance) P-C4' energy: -77.001
flat angles C4'-P-C4' energy: -65.216
flat angles P-C4'-P energy: -39.974
tors. eta vs tors. theta energy: 5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -326.343038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.343038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.343038 (E_RNA)
where:
Base-Base interactions energy: -100.237
where: short stacking energy: -87.768
Base-Backbone interact. energy: -1.028
local terms energy: -225.078528
where:
bonds (distance) C4'-P energy: -63.507
bonds (distance) P-C4' energy: -72.498
flat angles C4'-P-C4' energy: -49.366
flat angles P-C4'-P energy: -28.338
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1277.092254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.092254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.092254 (E_RNA)
where:
Base-Base interactions energy: -859.527
where: short stacking energy: -380.017
Base-Backbone interact. energy: -6.108
local terms energy: -411.456487
where:
bonds (distance) C4'-P energy: -74.955
bonds (distance) P-C4' energy: -81.505
flat angles C4'-P-C4' energy: -93.036
flat angles P-C4'-P energy: -54.407
tors. eta vs tors. theta energy: -107.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1149.608437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.608437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.608437 (E_RNA)
where:
Base-Base interactions energy: -757.579
where: short stacking energy: -343.629
Base-Backbone interact. energy: -2.620
local terms energy: -389.409819
where:
bonds (distance) C4'-P energy: -78.003
bonds (distance) P-C4' energy: -72.772
flat angles C4'-P-C4' energy: -86.298
flat angles P-C4'-P energy: -53.514
tors. eta vs tors. theta energy: -98.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1104.366768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.366768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.366768 (E_RNA)
where:
Base-Base interactions energy: -736.923
where: short stacking energy: -338.146
Base-Backbone interact. energy: -0.055
local terms energy: -367.388261
where:
bonds (distance) C4'-P energy: -73.677
bonds (distance) P-C4' energy: -63.203
flat angles C4'-P-C4' energy: -78.556
flat angles P-C4'-P energy: -52.024
tors. eta vs tors. theta energy: -99.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1078.631682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.631682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.631682 (E_RNA)
where:
Base-Base interactions energy: -730.452
where: short stacking energy: -324.620
Base-Backbone interact. energy: -1.530
local terms energy: -346.649775
where:
bonds (distance) C4'-P energy: -59.803
bonds (distance) P-C4' energy: -70.402
flat angles C4'-P-C4' energy: -77.685
flat angles P-C4'-P energy: -57.778
tors. eta vs tors. theta energy: -80.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -986.790044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.790044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.790044 (E_RNA)
where:
Base-Base interactions energy: -659.573
where: short stacking energy: -268.084
Base-Backbone interact. energy: -4.548
local terms energy: -322.668133
where:
bonds (distance) C4'-P energy: -70.607
bonds (distance) P-C4' energy: -66.115
flat angles C4'-P-C4' energy: -72.311
flat angles P-C4'-P energy: -43.595
tors. eta vs tors. theta energy: -70.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -777.461825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.461825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.461825 (E_RNA)
where:
Base-Base interactions energy: -479.378
where: short stacking energy: -199.163
Base-Backbone interact. energy: 2.429
local terms energy: -300.512520
where:
bonds (distance) C4'-P energy: -69.126
bonds (distance) P-C4' energy: -80.493
flat angles C4'-P-C4' energy: -60.606
flat angles P-C4'-P energy: -44.705
tors. eta vs tors. theta energy: -45.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -575.472133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.472133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.472133 (E_RNA)
where:
Base-Base interactions energy: -322.250
where: short stacking energy: -178.873
Base-Backbone interact. energy: 0.688
local terms energy: -253.909999
where:
bonds (distance) C4'-P energy: -62.677
bonds (distance) P-C4' energy: -72.553
flat angles C4'-P-C4' energy: -62.034
flat angles P-C4'-P energy: -30.346
tors. eta vs tors. theta energy: -26.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -456.373802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.373802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.373802 (E_RNA)
where:
Base-Base interactions energy: -207.494
where: short stacking energy: -120.311
Base-Backbone interact. energy: 2.832
local terms energy: -251.710846
where:
bonds (distance) C4'-P energy: -72.558
bonds (distance) P-C4' energy: -51.977
flat angles C4'-P-C4' energy: -66.812
flat angles P-C4'-P energy: -50.166
tors. eta vs tors. theta energy: -10.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -376.972043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.972043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.972043 (E_RNA)
where:
Base-Base interactions energy: -152.051
where: short stacking energy: -116.749
Base-Backbone interact. energy: -1.450
local terms energy: -223.471575
where:
bonds (distance) C4'-P energy: -52.738
bonds (distance) P-C4' energy: -75.580
flat angles C4'-P-C4' energy: -58.092
flat angles P-C4'-P energy: -37.440
tors. eta vs tors. theta energy: 0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -350.459828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.459828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.459828 (E_RNA)
where:
Base-Base interactions energy: -130.089
where: short stacking energy: -87.488
Base-Backbone interact. energy: -0.182
local terms energy: -220.189063
where:
bonds (distance) C4'-P energy: -45.696
bonds (distance) P-C4' energy: -72.591
flat angles C4'-P-C4' energy: -60.362
flat angles P-C4'-P energy: -43.554
tors. eta vs tors. theta energy: 2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1276.583173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.583173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.583173 (E_RNA)
where:
Base-Base interactions energy: -843.904
where: short stacking energy: -373.766
Base-Backbone interact. energy: -2.648
local terms energy: -430.031327
where:
bonds (distance) C4'-P energy: -86.041
bonds (distance) P-C4' energy: -78.380
flat angles C4'-P-C4' energy: -93.664
flat angles P-C4'-P energy: -64.893
tors. eta vs tors. theta energy: -107.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1158.362835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.362835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.362835 (E_RNA)
where:
Base-Base interactions energy: -766.803
where: short stacking energy: -362.656
Base-Backbone interact. energy: 1.362
local terms energy: -392.921793
where:
bonds (distance) C4'-P energy: -64.630
bonds (distance) P-C4' energy: -76.603
flat angles C4'-P-C4' energy: -86.142
flat angles P-C4'-P energy: -62.236
tors. eta vs tors. theta energy: -103.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1104.415206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.415206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.415206 (E_RNA)
where:
Base-Base interactions energy: -732.477
where: short stacking energy: -318.232
Base-Backbone interact. energy: -0.841
local terms energy: -371.097612
where:
bonds (distance) C4'-P energy: -77.601
bonds (distance) P-C4' energy: -80.878
flat angles C4'-P-C4' energy: -78.793
flat angles P-C4'-P energy: -45.338
tors. eta vs tors. theta energy: -88.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1060.449727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.449727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.449727 (E_RNA)
where:
Base-Base interactions energy: -686.360
where: short stacking energy: -304.673
Base-Backbone interact. energy: -1.954
local terms energy: -372.134870
where:
bonds (distance) C4'-P energy: -79.433
bonds (distance) P-C4' energy: -79.897
flat angles C4'-P-C4' energy: -82.479
flat angles P-C4'-P energy: -46.253
tors. eta vs tors. theta energy: -84.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1006.616248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.616248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.616248 (E_RNA)
where:
Base-Base interactions energy: -667.222
where: short stacking energy: -297.406
Base-Backbone interact. energy: -1.944
local terms energy: -337.450758
where:
bonds (distance) C4'-P energy: -77.030
bonds (distance) P-C4' energy: -54.038
flat angles C4'-P-C4' energy: -80.520
flat angles P-C4'-P energy: -52.893
tors. eta vs tors. theta energy: -72.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -839.430835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.430835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.430835 (E_RNA)
where:
Base-Base interactions energy: -531.711
where: short stacking energy: -230.626
Base-Backbone interact. energy: -1.201
local terms energy: -306.518869
where:
bonds (distance) C4'-P energy: -64.030
bonds (distance) P-C4' energy: -70.088
flat angles C4'-P-C4' energy: -62.508
flat angles P-C4'-P energy: -48.421
tors. eta vs tors. theta energy: -61.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -607.871834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.871834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.871834 (E_RNA)
where:
Base-Base interactions energy: -327.561
where: short stacking energy: -170.586
Base-Backbone interact. energy: -0.499
local terms energy: -279.811443
where:
bonds (distance) C4'-P energy: -64.101
bonds (distance) P-C4' energy: -70.315
flat angles C4'-P-C4' energy: -76.667
flat angles P-C4'-P energy: -41.403
tors. eta vs tors. theta energy: -27.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -475.354648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.354648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.354648 (E_RNA)
where:
Base-Base interactions energy: -211.933
where: short stacking energy: -137.097
Base-Backbone interact. energy: 0.922
local terms energy: -264.343769
where:
bonds (distance) C4'-P energy: -59.021
bonds (distance) P-C4' energy: -72.342
flat angles C4'-P-C4' energy: -74.087
flat angles P-C4'-P energy: -38.326
tors. eta vs tors. theta energy: -20.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -357.569021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.569021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.569021 (E_RNA)
where:
Base-Base interactions energy: -129.625
where: short stacking energy: -105.460
Base-Backbone interact. energy: -0.332
local terms energy: -227.611702
where:
bonds (distance) C4'-P energy: -73.129
bonds (distance) P-C4' energy: -73.202
flat angles C4'-P-C4' energy: -61.975
flat angles P-C4'-P energy: -35.888
tors. eta vs tors. theta energy: 16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -415.369904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.369904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.369904 (E_RNA)
where:
Base-Base interactions energy: -179.129
where: short stacking energy: -102.141
Base-Backbone interact. energy: -2.427
local terms energy: -233.813859
where:
bonds (distance) C4'-P energy: -62.221
bonds (distance) P-C4' energy: -71.313
flat angles C4'-P-C4' energy: -56.694
flat angles P-C4'-P energy: -38.992
tors. eta vs tors. theta energy: -4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1237.140464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.140464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.140464 (E_RNA)
where:
Base-Base interactions energy: -822.371
where: short stacking energy: -361.790
Base-Backbone interact. energy: -3.044
local terms energy: -411.725824
where:
bonds (distance) C4'-P energy: -81.278
bonds (distance) P-C4' energy: -83.614
flat angles C4'-P-C4' energy: -90.546
flat angles P-C4'-P energy: -61.309
tors. eta vs tors. theta energy: -94.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1210.417580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.417580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.417580 (E_RNA)
where:
Base-Base interactions energy: -802.141
where: short stacking energy: -369.262
Base-Backbone interact. energy: -0.102
local terms energy: -408.174798
where:
bonds (distance) C4'-P energy: -82.668
bonds (distance) P-C4' energy: -74.999
flat angles C4'-P-C4' energy: -86.276
flat angles P-C4'-P energy: -58.710
tors. eta vs tors. theta energy: -105.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1081.769459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.769459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.769459 (E_RNA)
where:
Base-Base interactions energy: -707.780
where: short stacking energy: -308.463
Base-Backbone interact. energy: 3.564
local terms energy: -377.552878
where:
bonds (distance) C4'-P energy: -70.636
bonds (distance) P-C4' energy: -70.958
flat angles C4'-P-C4' energy: -86.510
flat angles P-C4'-P energy: -55.855
tors. eta vs tors. theta energy: -93.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1082.497423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.497423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.497423 (E_RNA)
where:
Base-Base interactions energy: -719.665
where: short stacking energy: -302.136
Base-Backbone interact. energy: -2.829
local terms energy: -360.003808
where:
bonds (distance) C4'-P energy: -80.136
bonds (distance) P-C4' energy: -76.878
flat angles C4'-P-C4' energy: -75.063
flat angles P-C4'-P energy: -47.646
tors. eta vs tors. theta energy: -80.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -932.394474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.394474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.394474 (E_RNA)
where:
Base-Base interactions energy: -604.621
where: short stacking energy: -273.584
Base-Backbone interact. energy: -0.639
local terms energy: -327.134343
where:
bonds (distance) C4'-P energy: -64.897
bonds (distance) P-C4' energy: -65.506
flat angles C4'-P-C4' energy: -68.813
flat angles P-C4'-P energy: -49.144
tors. eta vs tors. theta energy: -78.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -838.575834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.575834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.575834 (E_RNA)
where:
Base-Base interactions energy: -522.498
where: short stacking energy: -227.142
Base-Backbone interact. energy: -0.921
local terms energy: -315.156662
where:
bonds (distance) C4'-P energy: -75.900
bonds (distance) P-C4' energy: -64.650
flat angles C4'-P-C4' energy: -58.851
flat angles P-C4'-P energy: -60.141
tors. eta vs tors. theta energy: -55.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -703.457216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.457216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.457216 (E_RNA)
where:
Base-Base interactions energy: -418.041
where: short stacking energy: -204.415
Base-Backbone interact. energy: -2.039
local terms energy: -283.376591
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -81.456
flat angles C4'-P-C4' energy: -58.220
flat angles P-C4'-P energy: -27.730
tors. eta vs tors. theta energy: -53.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -459.195165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.195165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.195165 (E_RNA)
where:
Base-Base interactions energy: -234.309
where: short stacking energy: -125.093
Base-Backbone interact. energy: -0.616
local terms energy: -224.269993
where:
bonds (distance) C4'-P energy: -60.124
bonds (distance) P-C4' energy: -77.207
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -30.052
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -406.787142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.787142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.787142 (E_RNA)
where:
Base-Base interactions energy: -172.854
where: short stacking energy: -110.853
Base-Backbone interact. energy: -0.318
local terms energy: -233.614732
where:
bonds (distance) C4'-P energy: -53.240
bonds (distance) P-C4' energy: -74.325
flat angles C4'-P-C4' energy: -67.206
flat angles P-C4'-P energy: -37.538
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -315.376655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.376655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.376655 (E_RNA)
where:
Base-Base interactions energy: -107.907
where: short stacking energy: -82.402
Base-Backbone interact. energy: -2.821
local terms energy: -204.648844
where:
bonds (distance) C4'-P energy: -62.240
bonds (distance) P-C4' energy: -61.777
flat angles C4'-P-C4' energy: -64.755
flat angles P-C4'-P energy: -29.153
tors. eta vs tors. theta energy: 13.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1248.495513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.495513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.495513 (E_RNA)
where:
Base-Base interactions energy: -822.803
where: short stacking energy: -357.643
Base-Backbone interact. energy: 0.331
local terms energy: -426.023980
where:
bonds (distance) C4'-P energy: -77.777
bonds (distance) P-C4' energy: -87.123
flat angles C4'-P-C4' energy: -97.598
flat angles P-C4'-P energy: -52.788
tors. eta vs tors. theta energy: -110.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1227.427457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.427457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.427457 (E_RNA)
where:
Base-Base interactions energy: -821.448
where: short stacking energy: -365.273
Base-Backbone interact. energy: -0.964
local terms energy: -405.015553
where:
bonds (distance) C4'-P energy: -71.154
bonds (distance) P-C4' energy: -79.087
flat angles C4'-P-C4' energy: -88.757
flat angles P-C4'-P energy: -53.544
tors. eta vs tors. theta energy: -112.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1062.777185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.777185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.777185 (E_RNA)
where:
Base-Base interactions energy: -710.349
where: short stacking energy: -329.842
Base-Backbone interact. energy: -0.271
local terms energy: -352.158039
where:
bonds (distance) C4'-P energy: -71.257
bonds (distance) P-C4' energy: -80.327
flat angles C4'-P-C4' energy: -74.820
flat angles P-C4'-P energy: -41.385
tors. eta vs tors. theta energy: -84.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1086.418939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.418939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.418939 (E_RNA)
where:
Base-Base interactions energy: -744.438
where: short stacking energy: -324.941
Base-Backbone interact. energy: -1.373
local terms energy: -340.607464
where:
bonds (distance) C4'-P energy: -55.709
bonds (distance) P-C4' energy: -66.432
flat angles C4'-P-C4' energy: -72.139
flat angles P-C4'-P energy: -56.813
tors. eta vs tors. theta energy: -89.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -880.519157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.519157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.519157 (E_RNA)
where:
Base-Base interactions energy: -551.301
where: short stacking energy: -256.957
Base-Backbone interact. energy: -1.240
local terms energy: -327.978119
where:
bonds (distance) C4'-P energy: -73.727
bonds (distance) P-C4' energy: -71.694
flat angles C4'-P-C4' energy: -61.036
flat angles P-C4'-P energy: -52.575
tors. eta vs tors. theta energy: -68.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -775.043484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.043484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.043484 (E_RNA)
where:
Base-Base interactions energy: -486.430
where: short stacking energy: -234.632
Base-Backbone interact. energy: -0.540
local terms energy: -288.073427
where:
bonds (distance) C4'-P energy: -51.772
bonds (distance) P-C4' energy: -73.151
flat angles C4'-P-C4' energy: -66.886
flat angles P-C4'-P energy: -48.990
tors. eta vs tors. theta energy: -47.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -639.069796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.069796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.069796 (E_RNA)
where:
Base-Base interactions energy: -349.275
where: short stacking energy: -197.152
Base-Backbone interact. energy: 0.869
local terms energy: -290.664211
where:
bonds (distance) C4'-P energy: -56.584
bonds (distance) P-C4' energy: -77.930
flat angles C4'-P-C4' energy: -73.460
flat angles P-C4'-P energy: -54.828
tors. eta vs tors. theta energy: -27.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -432.690813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.690813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.690813 (E_RNA)
where:
Base-Base interactions energy: -199.937
where: short stacking energy: -124.808
Base-Backbone interact. energy: 3.176
local terms energy: -235.930221
where:
bonds (distance) C4'-P energy: -68.285
bonds (distance) P-C4' energy: -70.951
flat angles C4'-P-C4' energy: -56.037
flat angles P-C4'-P energy: -30.977
tors. eta vs tors. theta energy: -9.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -396.341529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.341529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.341529 (E_RNA)
where:
Base-Base interactions energy: -182.670
where: short stacking energy: -105.528
Base-Backbone interact. energy: 1.686
local terms energy: -215.356653
where:
bonds (distance) C4'-P energy: -61.612
bonds (distance) P-C4' energy: -79.102
flat angles C4'-P-C4' energy: -42.361
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -320.434581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.434581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.434581 (E_RNA)
where:
Base-Base interactions energy: -107.071
where: short stacking energy: -98.647
Base-Backbone interact. energy: -0.644
local terms energy: -212.719378
where:
bonds (distance) C4'-P energy: -61.654
bonds (distance) P-C4' energy: -66.580
flat angles C4'-P-C4' energy: -48.460
flat angles P-C4'-P energy: -31.741
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1282.249760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.249760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.249760 (E_RNA)
where:
Base-Base interactions energy: -844.347
where: short stacking energy: -387.332
Base-Backbone interact. energy: -0.928
local terms energy: -436.975501
where:
bonds (distance) C4'-P energy: -77.992
bonds (distance) P-C4' energy: -77.296
flat angles C4'-P-C4' energy: -97.998
flat angles P-C4'-P energy: -56.316
tors. eta vs tors. theta energy: -127.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1228.295597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.295597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.295597 (E_RNA)
where:
Base-Base interactions energy: -830.193
where: short stacking energy: -378.816
Base-Backbone interact. energy: -3.756
local terms energy: -394.345782
where:
bonds (distance) C4'-P energy: -67.448
bonds (distance) P-C4' energy: -70.827
flat angles C4'-P-C4' energy: -93.172
flat angles P-C4'-P energy: -59.806
tors. eta vs tors. theta energy: -103.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1144.265024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.265024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.265024 (E_RNA)
where:
Base-Base interactions energy: -760.059
where: short stacking energy: -339.236
Base-Backbone interact. energy: -3.323
local terms energy: -380.883709
where:
bonds (distance) C4'-P energy: -65.987
bonds (distance) P-C4' energy: -75.578
flat angles C4'-P-C4' energy: -84.471
flat angles P-C4'-P energy: -61.611
tors. eta vs tors. theta energy: -93.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1028.869797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.869797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.869797 (E_RNA)
where:
Base-Base interactions energy: -661.048
where: short stacking energy: -306.160
Base-Backbone interact. energy: -0.580
local terms energy: -367.241936
where:
bonds (distance) C4'-P energy: -72.107
bonds (distance) P-C4' energy: -77.112
flat angles C4'-P-C4' energy: -81.802
flat angles P-C4'-P energy: -51.981
tors. eta vs tors. theta energy: -84.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -812.723617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.723617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.723617 (E_RNA)
where:
Base-Base interactions energy: -501.485
where: short stacking energy: -227.703
Base-Backbone interact. energy: 1.651
local terms energy: -312.889167
where:
bonds (distance) C4'-P energy: -67.458
bonds (distance) P-C4' energy: -70.734
flat angles C4'-P-C4' energy: -73.853
flat angles P-C4'-P energy: -56.846
tors. eta vs tors. theta energy: -43.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -890.934578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.934578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.934578 (E_RNA)
where:
Base-Base interactions energy: -551.110
where: short stacking energy: -223.712
Base-Backbone interact. energy: -2.743
local terms energy: -337.081152
where:
bonds (distance) C4'-P energy: -73.172
bonds (distance) P-C4' energy: -73.792
flat angles C4'-P-C4' energy: -76.255
flat angles P-C4'-P energy: -51.627
tors. eta vs tors. theta energy: -62.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -610.156848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.156848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.156848 (E_RNA)
where:
Base-Base interactions energy: -365.135
where: short stacking energy: -195.095
Base-Backbone interact. energy: -2.574
local terms energy: -242.447400
where:
bonds (distance) C4'-P energy: -56.971
bonds (distance) P-C4' energy: -62.261
flat angles C4'-P-C4' energy: -57.945
flat angles P-C4'-P energy: -37.786
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -446.605811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.605811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.605811 (E_RNA)
where:
Base-Base interactions energy: -206.335
where: short stacking energy: -138.058
Base-Backbone interact. energy: 2.580
local terms energy: -242.851227
where:
bonds (distance) C4'-P energy: -73.309
bonds (distance) P-C4' energy: -78.897
flat angles C4'-P-C4' energy: -52.146
flat angles P-C4'-P energy: -32.410
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -365.618755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.618755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.618755 (E_RNA)
where:
Base-Base interactions energy: -141.182
where: short stacking energy: -84.930
Base-Backbone interact. energy: -1.531
local terms energy: -222.906675
where:
bonds (distance) C4'-P energy: -65.933
bonds (distance) P-C4' energy: -66.987
flat angles C4'-P-C4' energy: -71.410
flat angles P-C4'-P energy: -29.359
tors. eta vs tors. theta energy: 10.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -327.222634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.222634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.222634 (E_RNA)
where:
Base-Base interactions energy: -109.475
where: short stacking energy: -61.895
Base-Backbone interact. energy: 0.794
local terms energy: -218.541599
where:
bonds (distance) C4'-P energy: -67.989
bonds (distance) P-C4' energy: -73.518
flat angles C4'-P-C4' energy: -57.373
flat angles P-C4'-P energy: -38.966
tors. eta vs tors. theta energy: 19.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1290.426248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.426248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.426248 (E_RNA)
where:
Base-Base interactions energy: -872.783
where: short stacking energy: -394.271
Base-Backbone interact. energy: -2.194
local terms energy: -415.448855
where:
bonds (distance) C4'-P energy: -74.527
bonds (distance) P-C4' energy: -82.914
flat angles C4'-P-C4' energy: -86.177
flat angles P-C4'-P energy: -58.220
tors. eta vs tors. theta energy: -113.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1216.176154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.176154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.176154 (E_RNA)
where:
Base-Base interactions energy: -826.901
where: short stacking energy: -330.736
Base-Backbone interact. energy: -2.559
local terms energy: -386.715275
where:
bonds (distance) C4'-P energy: -75.165
bonds (distance) P-C4' energy: -75.488
flat angles C4'-P-C4' energy: -86.373
flat angles P-C4'-P energy: -56.209
tors. eta vs tors. theta energy: -93.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1124.477370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.477370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.477370 (E_RNA)
where:
Base-Base interactions energy: -728.402
where: short stacking energy: -321.861
Base-Backbone interact. energy: 1.917
local terms energy: -397.992506
where:
bonds (distance) C4'-P energy: -81.977
bonds (distance) P-C4' energy: -70.557
flat angles C4'-P-C4' energy: -89.525
flat angles P-C4'-P energy: -58.350
tors. eta vs tors. theta energy: -97.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1012.303708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.303708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.303708 (E_RNA)
where:
Base-Base interactions energy: -654.025
where: short stacking energy: -305.719
Base-Backbone interact. energy: -3.484
local terms energy: -354.794707
where:
bonds (distance) C4'-P energy: -68.920
bonds (distance) P-C4' energy: -81.053
flat angles C4'-P-C4' energy: -72.797
flat angles P-C4'-P energy: -45.993
tors. eta vs tors. theta energy: -86.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -869.596974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.596974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.596974 (E_RNA)
where:
Base-Base interactions energy: -553.390
where: short stacking energy: -241.867
Base-Backbone interact. energy: -0.867
local terms energy: -315.339732
where:
bonds (distance) C4'-P energy: -63.498
bonds (distance) P-C4' energy: -61.556
flat angles C4'-P-C4' energy: -80.030
flat angles P-C4'-P energy: -51.558
tors. eta vs tors. theta energy: -58.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -907.901692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.901692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.901692 (E_RNA)
where:
Base-Base interactions energy: -602.669
where: short stacking energy: -267.729
Base-Backbone interact. energy: -2.269
local terms energy: -302.963926
where:
bonds (distance) C4'-P energy: -67.278
bonds (distance) P-C4' energy: -56.109
flat angles C4'-P-C4' energy: -74.259
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -62.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -620.697587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.697587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.697587 (E_RNA)
where:
Base-Base interactions energy: -335.260
where: short stacking energy: -163.970
Base-Backbone interact. energy: -0.945
local terms energy: -284.491874
where:
bonds (distance) C4'-P energy: -76.825
bonds (distance) P-C4' energy: -67.753
flat angles C4'-P-C4' energy: -74.462
flat angles P-C4'-P energy: -27.329
tors. eta vs tors. theta energy: -38.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -472.169265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.169265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.169265 (E_RNA)
where:
Base-Base interactions energy: -236.698
where: short stacking energy: -134.063
Base-Backbone interact. energy: -0.982
local terms energy: -234.488707
where:
bonds (distance) C4'-P energy: -71.336
bonds (distance) P-C4' energy: -75.548
flat angles C4'-P-C4' energy: -63.374
flat angles P-C4'-P energy: -29.055
tors. eta vs tors. theta energy: 4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -345.520138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.520138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.520138 (E_RNA)
where:
Base-Base interactions energy: -115.527
where: short stacking energy: -86.254
Base-Backbone interact. energy: 5.661
local terms energy: -235.654633
where:
bonds (distance) C4'-P energy: -55.930
bonds (distance) P-C4' energy: -75.592
flat angles C4'-P-C4' energy: -69.450
flat angles P-C4'-P energy: -37.234
tors. eta vs tors. theta energy: 2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -317.067037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.067037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.067037 (E_RNA)
where:
Base-Base interactions energy: -113.258
where: short stacking energy: -86.122
Base-Backbone interact. energy: -0.496
local terms energy: -203.313543
where:
bonds (distance) C4'-P energy: -67.455
bonds (distance) P-C4' energy: -76.363
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: 19.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1333.955512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.955512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.955512 (E_RNA)
where:
Base-Base interactions energy: -885.493
where: short stacking energy: -390.862
Base-Backbone interact. energy: -1.317
local terms energy: -447.145204
where:
bonds (distance) C4'-P energy: -81.508
bonds (distance) P-C4' energy: -78.731
flat angles C4'-P-C4' energy: -96.906
flat angles P-C4'-P energy: -67.918
tors. eta vs tors. theta energy: -122.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1227.009528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.009528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.009528 (E_RNA)
where:
Base-Base interactions energy: -808.572
where: short stacking energy: -351.636
Base-Backbone interact. energy: -2.068
local terms energy: -416.369740
where:
bonds (distance) C4'-P energy: -79.589
bonds (distance) P-C4' energy: -84.379
flat angles C4'-P-C4' energy: -92.103
flat angles P-C4'-P energy: -60.063
tors. eta vs tors. theta energy: -100.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1111.471034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.471034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.471034 (E_RNA)
where:
Base-Base interactions energy: -744.266
where: short stacking energy: -318.482
Base-Backbone interact. energy: -1.926
local terms energy: -365.279492
where:
bonds (distance) C4'-P energy: -72.408
bonds (distance) P-C4' energy: -71.182
flat angles C4'-P-C4' energy: -81.722
flat angles P-C4'-P energy: -59.744
tors. eta vs tors. theta energy: -80.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1049.977738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.977738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.977738 (E_RNA)
where:
Base-Base interactions energy: -699.033
where: short stacking energy: -304.288
Base-Backbone interact. energy: -1.126
local terms energy: -349.818302
where:
bonds (distance) C4'-P energy: -63.483
bonds (distance) P-C4' energy: -71.642
flat angles C4'-P-C4' energy: -77.806
flat angles P-C4'-P energy: -50.538
tors. eta vs tors. theta energy: -86.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -988.640753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.640753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.640753 (E_RNA)
where:
Base-Base interactions energy: -623.869
where: short stacking energy: -294.161
Base-Backbone interact. energy: -1.245
local terms energy: -363.527406
where:
bonds (distance) C4'-P energy: -74.896
bonds (distance) P-C4' energy: -67.448
flat angles C4'-P-C4' energy: -88.321
flat angles P-C4'-P energy: -45.369
tors. eta vs tors. theta energy: -87.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -839.835215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.835215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.835215 (E_RNA)
where:
Base-Base interactions energy: -547.554
where: short stacking energy: -232.765
Base-Backbone interact. energy: 3.840
local terms energy: -296.121737
where:
bonds (distance) C4'-P energy: -58.626
bonds (distance) P-C4' energy: -69.415
flat angles C4'-P-C4' energy: -71.140
flat angles P-C4'-P energy: -36.487
tors. eta vs tors. theta energy: -60.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -663.223280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.223280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.223280 (E_RNA)
where:
Base-Base interactions energy: -368.918
where: short stacking energy: -187.742
Base-Backbone interact. energy: -1.978
local terms energy: -292.327275
where:
bonds (distance) C4'-P energy: -75.066
bonds (distance) P-C4' energy: -67.636
flat angles C4'-P-C4' energy: -78.502
flat angles P-C4'-P energy: -43.793
tors. eta vs tors. theta energy: -27.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -443.463563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.463563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.463563 (E_RNA)
where:
Base-Base interactions energy: -219.660
where: short stacking energy: -126.907
Base-Backbone interact. energy: 4.433
local terms energy: -228.236371
where:
bonds (distance) C4'-P energy: -61.200
bonds (distance) P-C4' energy: -65.022
flat angles C4'-P-C4' energy: -56.081
flat angles P-C4'-P energy: -40.798
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -374.236588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.236588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.236588 (E_RNA)
where:
Base-Base interactions energy: -122.551
where: short stacking energy: -103.122
Base-Backbone interact. energy: 1.533
local terms energy: -253.218207
where:
bonds (distance) C4'-P energy: -64.608
bonds (distance) P-C4' energy: -79.970
flat angles C4'-P-C4' energy: -55.144
flat angles P-C4'-P energy: -39.100
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -328.248360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.248360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.248360 (E_RNA)
where:
Base-Base interactions energy: -118.254
where: short stacking energy: -86.601
Base-Backbone interact. energy: 0.271
local terms energy: -210.265465
where:
bonds (distance) C4'-P energy: -77.086
bonds (distance) P-C4' energy: -68.901
flat angles C4'-P-C4' energy: -48.730
flat angles P-C4'-P energy: -35.788
tors. eta vs tors. theta energy: 20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1323.489931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.489931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.489931 (E_RNA)
where:
Base-Base interactions energy: -890.813
where: short stacking energy: -384.967
Base-Backbone interact. energy: -1.815
local terms energy: -430.861378
where:
bonds (distance) C4'-P energy: -84.440
bonds (distance) P-C4' energy: -76.561
flat angles C4'-P-C4' energy: -93.447
flat angles P-C4'-P energy: -58.309
tors. eta vs tors. theta energy: -118.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1168.705069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.705069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.705069 (E_RNA)
where:
Base-Base interactions energy: -786.002
where: short stacking energy: -324.610
Base-Backbone interact. energy: -3.987
local terms energy: -378.716155
where:
bonds (distance) C4'-P energy: -68.741
bonds (distance) P-C4' energy: -77.437
flat angles C4'-P-C4' energy: -92.242
flat angles P-C4'-P energy: -49.104
tors. eta vs tors. theta energy: -91.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1137.007315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.007315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.007315 (E_RNA)
where:
Base-Base interactions energy: -772.717
where: short stacking energy: -316.692
Base-Backbone interact. energy: -2.529
local terms energy: -361.760861
where:
bonds (distance) C4'-P energy: -63.350
bonds (distance) P-C4' energy: -71.348
flat angles C4'-P-C4' energy: -81.069
flat angles P-C4'-P energy: -60.788
tors. eta vs tors. theta energy: -85.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1037.567634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.567634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.567634 (E_RNA)
where:
Base-Base interactions energy: -672.656
where: short stacking energy: -292.574
Base-Backbone interact. energy: -0.853
local terms energy: -364.058709
where:
bonds (distance) C4'-P energy: -77.251
bonds (distance) P-C4' energy: -73.566
flat angles C4'-P-C4' energy: -69.529
flat angles P-C4'-P energy: -58.377
tors. eta vs tors. theta energy: -85.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -985.981251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.981251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.981251 (E_RNA)
where:
Base-Base interactions energy: -634.922
where: short stacking energy: -267.036
Base-Backbone interact. energy: -2.265
local terms energy: -348.794947
where:
bonds (distance) C4'-P energy: -78.714
bonds (distance) P-C4' energy: -75.553
flat angles C4'-P-C4' energy: -70.587
flat angles P-C4'-P energy: -38.620
tors. eta vs tors. theta energy: -85.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -855.041868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.041868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.041868 (E_RNA)
where:
Base-Base interactions energy: -527.015
where: short stacking energy: -231.563
Base-Backbone interact. energy: -2.566
local terms energy: -325.461048
where:
bonds (distance) C4'-P energy: -62.916
bonds (distance) P-C4' energy: -79.036
flat angles C4'-P-C4' energy: -76.868
flat angles P-C4'-P energy: -45.336
tors. eta vs tors. theta energy: -61.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -601.186581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.186581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.186581 (E_RNA)
where:
Base-Base interactions energy: -336.904
where: short stacking energy: -178.297
Base-Backbone interact. energy: -1.149
local terms energy: -263.133097
where:
bonds (distance) C4'-P energy: -59.979
bonds (distance) P-C4' energy: -66.867
flat angles C4'-P-C4' energy: -67.706
flat angles P-C4'-P energy: -48.853
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -490.694033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.694033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.694033 (E_RNA)
where:
Base-Base interactions energy: -250.686
where: short stacking energy: -147.904
Base-Backbone interact. energy: -0.458
local terms energy: -239.549988
where:
bonds (distance) C4'-P energy: -72.334
bonds (distance) P-C4' energy: -62.440
flat angles C4'-P-C4' energy: -59.134
flat angles P-C4'-P energy: -33.527
tors. eta vs tors. theta energy: -12.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -325.977044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.977044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.977044 (E_RNA)
where:
Base-Base interactions energy: -116.011
where: short stacking energy: -82.872
Base-Backbone interact. energy: 0.631
local terms energy: -210.597227
where:
bonds (distance) C4'-P energy: -66.301
bonds (distance) P-C4' energy: -76.624
flat angles C4'-P-C4' energy: -48.913
flat angles P-C4'-P energy: -40.216
tors. eta vs tors. theta energy: 21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -299.330389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.330389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.330389 (E_RNA)
where:
Base-Base interactions energy: -86.937
where: short stacking energy: -69.288
Base-Backbone interact. energy: 0.126
local terms energy: -212.519776
where:
bonds (distance) C4'-P energy: -64.141
bonds (distance) P-C4' energy: -71.664
flat angles C4'-P-C4' energy: -52.371
flat angles P-C4'-P energy: -33.529
tors. eta vs tors. theta energy: 9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1312.622709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.622709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.622709 (E_RNA)
where:
Base-Base interactions energy: -875.076
where: short stacking energy: -390.253
Base-Backbone interact. energy: -3.398
local terms energy: -434.149053
where:
bonds (distance) C4'-P energy: -70.734
bonds (distance) P-C4' energy: -85.225
flat angles C4'-P-C4' energy: -92.005
flat angles P-C4'-P energy: -61.407
tors. eta vs tors. theta energy: -124.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1194.795867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.795867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.795867 (E_RNA)
where:
Base-Base interactions energy: -796.536
where: short stacking energy: -308.231
Base-Backbone interact. energy: -3.101
local terms energy: -395.159683
where:
bonds (distance) C4'-P energy: -62.073
bonds (distance) P-C4' energy: -90.760
flat angles C4'-P-C4' energy: -88.215
flat angles P-C4'-P energy: -58.771
tors. eta vs tors. theta energy: -95.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1149.113761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.113761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.113761 (E_RNA)
where:
Base-Base interactions energy: -772.921
where: short stacking energy: -359.349
Base-Backbone interact. energy: -0.854
local terms energy: -375.338721
where:
bonds (distance) C4'-P energy: -58.490
bonds (distance) P-C4' energy: -70.438
flat angles C4'-P-C4' energy: -84.654
flat angles P-C4'-P energy: -54.923
tors. eta vs tors. theta energy: -106.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1102.356938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.356938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.356938 (E_RNA)
where:
Base-Base interactions energy: -735.533
where: short stacking energy: -317.365
Base-Backbone interact. energy: -1.968
local terms energy: -364.856126
where:
bonds (distance) C4'-P energy: -74.143
bonds (distance) P-C4' energy: -73.362
flat angles C4'-P-C4' energy: -74.464
flat angles P-C4'-P energy: -54.729
tors. eta vs tors. theta energy: -88.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -952.741151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.741151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.741151 (E_RNA)
where:
Base-Base interactions energy: -639.463
where: short stacking energy: -281.113
Base-Backbone interact. energy: 5.139
local terms energy: -318.417148
where:
bonds (distance) C4'-P energy: -58.278
bonds (distance) P-C4' energy: -64.567
flat angles C4'-P-C4' energy: -77.608
flat angles P-C4'-P energy: -41.712
tors. eta vs tors. theta energy: -76.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -839.742625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.742625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.742625 (E_RNA)
where:
Base-Base interactions energy: -504.816
where: short stacking energy: -222.088
Base-Backbone interact. energy: -0.135
local terms energy: -334.791059
where:
bonds (distance) C4'-P energy: -73.975
bonds (distance) P-C4' energy: -88.209
flat angles C4'-P-C4' energy: -79.726
flat angles P-C4'-P energy: -37.967
tors. eta vs tors. theta energy: -54.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -625.872398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.872398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.872398 (E_RNA)
where:
Base-Base interactions energy: -364.233
where: short stacking energy: -163.990
Base-Backbone interact. energy: 0.375
local terms energy: -262.014852
where:
bonds (distance) C4'-P energy: -65.482
bonds (distance) P-C4' energy: -66.700
flat angles C4'-P-C4' energy: -62.017
flat angles P-C4'-P energy: -42.722
tors. eta vs tors. theta energy: -25.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -473.271312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.271312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.271312 (E_RNA)
where:
Base-Base interactions energy: -222.369
where: short stacking energy: -142.077
Base-Backbone interact. energy: -0.654
local terms energy: -250.247727
where:
bonds (distance) C4'-P energy: -55.520
bonds (distance) P-C4' energy: -63.019
flat angles C4'-P-C4' energy: -71.695
flat angles P-C4'-P energy: -39.144
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -330.206806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.206806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.206806 (E_RNA)
where:
Base-Base interactions energy: -110.819
where: short stacking energy: -99.363
Base-Backbone interact. energy: -1.930
local terms energy: -217.457946
where:
bonds (distance) C4'-P energy: -73.860
bonds (distance) P-C4' energy: -62.133
flat angles C4'-P-C4' energy: -46.700
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: 7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -308.052540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.052540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.052540 (E_RNA)
where:
Base-Base interactions energy: -99.469
where: short stacking energy: -87.810
Base-Backbone interact. energy: -2.201
local terms energy: -206.382778
where:
bonds (distance) C4'-P energy: -74.939
bonds (distance) P-C4' energy: -68.062
flat angles C4'-P-C4' energy: -69.139
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: 20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1308.673464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.673464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.673464 (E_RNA)
where:
Base-Base interactions energy: -889.057
where: short stacking energy: -365.716
Base-Backbone interact. energy: -0.251
local terms energy: -419.365117
where:
bonds (distance) C4'-P energy: -69.809
bonds (distance) P-C4' energy: -83.126
flat angles C4'-P-C4' energy: -90.618
flat angles P-C4'-P energy: -61.209
tors. eta vs tors. theta energy: -114.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1222.499694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.499694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.499694 (E_RNA)
where:
Base-Base interactions energy: -824.702
where: short stacking energy: -360.187
Base-Backbone interact. energy: -0.369
local terms energy: -397.428890
where:
bonds (distance) C4'-P energy: -72.647
bonds (distance) P-C4' energy: -84.112
flat angles C4'-P-C4' energy: -81.297
flat angles P-C4'-P energy: -56.206
tors. eta vs tors. theta energy: -103.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1103.505836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.505836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.505836 (E_RNA)
where:
Base-Base interactions energy: -733.946
where: short stacking energy: -296.451
Base-Backbone interact. energy: -2.627
local terms energy: -366.932908
where:
bonds (distance) C4'-P energy: -68.290
bonds (distance) P-C4' energy: -72.010
flat angles C4'-P-C4' energy: -78.802
flat angles P-C4'-P energy: -53.732
tors. eta vs tors. theta energy: -94.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1064.880298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.880298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.880298 (E_RNA)
where:
Base-Base interactions energy: -707.779
where: short stacking energy: -325.605
Base-Backbone interact. energy: -2.099
local terms energy: -355.001846
where:
bonds (distance) C4'-P energy: -59.267
bonds (distance) P-C4' energy: -68.430
flat angles C4'-P-C4' energy: -91.141
flat angles P-C4'-P energy: -48.414
tors. eta vs tors. theta energy: -87.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -989.407010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.407010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.407010 (E_RNA)
where:
Base-Base interactions energy: -662.310
where: short stacking energy: -287.123
Base-Backbone interact. energy: -0.540
local terms energy: -326.557086
where:
bonds (distance) C4'-P energy: -65.784
bonds (distance) P-C4' energy: -72.492
flat angles C4'-P-C4' energy: -71.966
flat angles P-C4'-P energy: -48.792
tors. eta vs tors. theta energy: -67.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -745.769460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.769460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.769460 (E_RNA)
where:
Base-Base interactions energy: -466.532
where: short stacking energy: -203.398
Base-Backbone interact. energy: -3.842
local terms energy: -275.395024
where:
bonds (distance) C4'-P energy: -64.079
bonds (distance) P-C4' energy: -66.662
flat angles C4'-P-C4' energy: -61.230
flat angles P-C4'-P energy: -44.540
tors. eta vs tors. theta energy: -38.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -668.889278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.889278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.889278 (E_RNA)
where:
Base-Base interactions energy: -396.116
where: short stacking energy: -186.531
Base-Backbone interact. energy: -2.075
local terms energy: -270.698874
where:
bonds (distance) C4'-P energy: -61.511
bonds (distance) P-C4' energy: -64.686
flat angles C4'-P-C4' energy: -79.282
flat angles P-C4'-P energy: -35.327
tors. eta vs tors. theta energy: -29.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -490.390202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.390202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.390202 (E_RNA)
where:
Base-Base interactions energy: -233.579
where: short stacking energy: -116.615
Base-Backbone interact. energy: 0.922
local terms energy: -257.732882
where:
bonds (distance) C4'-P energy: -72.690
bonds (distance) P-C4' energy: -75.715
flat angles C4'-P-C4' energy: -74.783
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: 2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -346.048256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.048256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.048256 (E_RNA)
where:
Base-Base interactions energy: -133.380
where: short stacking energy: -95.561
Base-Backbone interact. energy: -0.311
local terms energy: -212.356915
where:
bonds (distance) C4'-P energy: -60.346
bonds (distance) P-C4' energy: -76.321
flat angles C4'-P-C4' energy: -48.463
flat angles P-C4'-P energy: -42.395
tors. eta vs tors. theta energy: 15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -324.669837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.669837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.669837 (E_RNA)
where:
Base-Base interactions energy: -128.332
where: short stacking energy: -89.595
Base-Backbone interact. energy: 0.263
local terms energy: -196.600364
where:
bonds (distance) C4'-P energy: -51.534
bonds (distance) P-C4' energy: -58.723
flat angles C4'-P-C4' energy: -58.807
flat angles P-C4'-P energy: -40.513
tors. eta vs tors. theta energy: 12.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1305.732956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.732956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.732956 (E_RNA)
where:
Base-Base interactions energy: -871.379
where: short stacking energy: -373.298
Base-Backbone interact. energy: -2.108
local terms energy: -432.246628
where:
bonds (distance) C4'-P energy: -83.649
bonds (distance) P-C4' energy: -81.791
flat angles C4'-P-C4' energy: -89.192
flat angles P-C4'-P energy: -61.078
tors. eta vs tors. theta energy: -116.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1214.770680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.770680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.770680 (E_RNA)
where:
Base-Base interactions energy: -815.808
where: short stacking energy: -331.055
Base-Backbone interact. energy: -1.267
local terms energy: -397.695420
where:
bonds (distance) C4'-P energy: -79.394
bonds (distance) P-C4' energy: -91.831
flat angles C4'-P-C4' energy: -85.960
flat angles P-C4'-P energy: -51.449
tors. eta vs tors. theta energy: -89.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1095.772967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.772967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.772967 (E_RNA)
where:
Base-Base interactions energy: -721.916
where: short stacking energy: -324.737
Base-Backbone interact. energy: 0.794
local terms energy: -374.650837
where:
bonds (distance) C4'-P energy: -74.646
bonds (distance) P-C4' energy: -62.803
flat angles C4'-P-C4' energy: -81.994
flat angles P-C4'-P energy: -61.267
tors. eta vs tors. theta energy: -93.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1056.284200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.284200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.284200 (E_RNA)
where:
Base-Base interactions energy: -693.645
where: short stacking energy: -287.397
Base-Backbone interact. energy: 0.604
local terms energy: -363.242866
where:
bonds (distance) C4'-P energy: -69.577
bonds (distance) P-C4' energy: -79.755
flat angles C4'-P-C4' energy: -78.699
flat angles P-C4'-P energy: -53.032
tors. eta vs tors. theta energy: -82.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -995.358666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.358666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.358666 (E_RNA)
where:
Base-Base interactions energy: -643.626
where: short stacking energy: -282.240
Base-Backbone interact. energy: -1.685
local terms energy: -350.048253
where:
bonds (distance) C4'-P energy: -72.691
bonds (distance) P-C4' energy: -74.704
flat angles C4'-P-C4' energy: -73.666
flat angles P-C4'-P energy: -56.282
tors. eta vs tors. theta energy: -72.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -744.809881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.809881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.809881 (E_RNA)
where:
Base-Base interactions energy: -481.948
where: short stacking energy: -185.094
Base-Backbone interact. energy: -1.914
local terms energy: -260.948343
where:
bonds (distance) C4'-P energy: -81.294
bonds (distance) P-C4' energy: -61.346
flat angles C4'-P-C4' energy: -60.156
flat angles P-C4'-P energy: -40.219
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -658.443752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.443752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.443752 (E_RNA)
where:
Base-Base interactions energy: -368.341
where: short stacking energy: -161.982
Base-Backbone interact. energy: -1.476
local terms energy: -288.626586
where:
bonds (distance) C4'-P energy: -70.701
bonds (distance) P-C4' energy: -74.149
flat angles C4'-P-C4' energy: -72.228
flat angles P-C4'-P energy: -35.065
tors. eta vs tors. theta energy: -36.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -502.018435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.018435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.018435 (E_RNA)
where:
Base-Base interactions energy: -252.176
where: short stacking energy: -149.699
Base-Backbone interact. energy: -1.317
local terms energy: -248.524824
where:
bonds (distance) C4'-P energy: -62.639
bonds (distance) P-C4' energy: -69.280
flat angles C4'-P-C4' energy: -49.152
flat angles P-C4'-P energy: -39.623
tors. eta vs tors. theta energy: -27.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -334.030619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.030619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.030619 (E_RNA)
where:
Base-Base interactions energy: -114.590
where: short stacking energy: -88.572
Base-Backbone interact. energy: 0.054
local terms energy: -219.494108
where:
bonds (distance) C4'-P energy: -70.646
bonds (distance) P-C4' energy: -72.274
flat angles C4'-P-C4' energy: -55.747
flat angles P-C4'-P energy: -38.566
tors. eta vs tors. theta energy: 17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -300.448792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.448792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.448792 (E_RNA)
where:
Base-Base interactions energy: -100.862
where: short stacking energy: -85.138
Base-Backbone interact. energy: -2.331
local terms energy: -197.255726
where:
bonds (distance) C4'-P energy: -60.299
bonds (distance) P-C4' energy: -58.691
flat angles C4'-P-C4' energy: -56.148
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1304.124416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.124416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.124416 (E_RNA)
where:
Base-Base interactions energy: -881.602
where: short stacking energy: -390.131
Base-Backbone interact. energy: -0.338
local terms energy: -422.184790
where:
bonds (distance) C4'-P energy: -80.592
bonds (distance) P-C4' energy: -72.518
flat angles C4'-P-C4' energy: -85.012
flat angles P-C4'-P energy: -68.239
tors. eta vs tors. theta energy: -115.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1177.460432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.460432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.460432 (E_RNA)
where:
Base-Base interactions energy: -787.822
where: short stacking energy: -336.692
Base-Backbone interact. energy: 3.032
local terms energy: -392.670027
where:
bonds (distance) C4'-P energy: -79.181
bonds (distance) P-C4' energy: -77.427
flat angles C4'-P-C4' energy: -92.821
flat angles P-C4'-P energy: -49.182
tors. eta vs tors. theta energy: -94.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1104.643444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.643444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.643444 (E_RNA)
where:
Base-Base interactions energy: -712.094
where: short stacking energy: -324.060
Base-Backbone interact. energy: 0.297
local terms energy: -392.846593
where:
bonds (distance) C4'-P energy: -76.541
bonds (distance) P-C4' energy: -82.572
flat angles C4'-P-C4' energy: -82.892
flat angles P-C4'-P energy: -54.290
tors. eta vs tors. theta energy: -96.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1036.585096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.585096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.585096 (E_RNA)
where:
Base-Base interactions energy: -676.384
where: short stacking energy: -287.228
Base-Backbone interact. energy: -3.510
local terms energy: -356.690458
where:
bonds (distance) C4'-P energy: -68.623
bonds (distance) P-C4' energy: -77.281
flat angles C4'-P-C4' energy: -75.357
flat angles P-C4'-P energy: -53.444
tors. eta vs tors. theta energy: -81.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -999.383510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.383510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.383510 (E_RNA)
where:
Base-Base interactions energy: -648.755
where: short stacking energy: -276.461
Base-Backbone interact. energy: -1.695
local terms energy: -348.933621
where:
bonds (distance) C4'-P energy: -77.428
bonds (distance) P-C4' energy: -64.572
flat angles C4'-P-C4' energy: -81.516
flat angles P-C4'-P energy: -49.980
tors. eta vs tors. theta energy: -75.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -722.330982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.330982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.330982 (E_RNA)
where:
Base-Base interactions energy: -435.581
where: short stacking energy: -212.638
Base-Backbone interact. energy: -1.202
local terms energy: -285.547739
where:
bonds (distance) C4'-P energy: -62.579
bonds (distance) P-C4' energy: -60.242
flat angles C4'-P-C4' energy: -64.460
flat angles P-C4'-P energy: -49.456
tors. eta vs tors. theta energy: -48.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -638.719890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.719890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.719890 (E_RNA)
where:
Base-Base interactions energy: -365.440
where: short stacking energy: -186.948
Base-Backbone interact. energy: -0.574
local terms energy: -272.706640
where:
bonds (distance) C4'-P energy: -69.835
bonds (distance) P-C4' energy: -81.728
flat angles C4'-P-C4' energy: -55.764
flat angles P-C4'-P energy: -40.960
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -543.550215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.550215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.550215 (E_RNA)
where:
Base-Base interactions energy: -287.099
where: short stacking energy: -173.168
Base-Backbone interact. energy: -0.132
local terms energy: -256.318896
where:
bonds (distance) C4'-P energy: -66.082
bonds (distance) P-C4' energy: -74.643
flat angles C4'-P-C4' energy: -73.889
flat angles P-C4'-P energy: -32.484
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -338.179767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.179767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.179767 (E_RNA)
where:
Base-Base interactions energy: -108.657
where: short stacking energy: -76.740
Base-Backbone interact. energy: 4.776
local terms energy: -234.298355
where:
bonds (distance) C4'-P energy: -70.688
bonds (distance) P-C4' energy: -73.334
flat angles C4'-P-C4' energy: -54.420
flat angles P-C4'-P energy: -40.708
tors. eta vs tors. theta energy: 4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -318.849452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.849452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.849452 (E_RNA)
where:
Base-Base interactions energy: -123.211
where: short stacking energy: -87.667
Base-Backbone interact. energy: 1.325
local terms energy: -196.964254
where:
bonds (distance) C4'-P energy: -48.381
bonds (distance) P-C4' energy: -78.047
flat angles C4'-P-C4' energy: -41.597
flat angles P-C4'-P energy: -29.823
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1291.027895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.027895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.027895 (E_RNA)
where:
Base-Base interactions energy: -871.010
where: short stacking energy: -390.203
Base-Backbone interact. energy: -1.013
local terms energy: -419.004709
where:
bonds (distance) C4'-P energy: -78.356
bonds (distance) P-C4' energy: -78.302
flat angles C4'-P-C4' energy: -88.203
flat angles P-C4'-P energy: -58.487
tors. eta vs tors. theta energy: -115.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1156.711758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.711758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.711758 (E_RNA)
where:
Base-Base interactions energy: -776.604
where: short stacking energy: -334.483
Base-Backbone interact. energy: 1.842
local terms energy: -381.949968
where:
bonds (distance) C4'-P energy: -75.763
bonds (distance) P-C4' energy: -82.148
flat angles C4'-P-C4' energy: -81.445
flat angles P-C4'-P energy: -53.180
tors. eta vs tors. theta energy: -89.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1124.028405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.028405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.028405 (E_RNA)
where:
Base-Base interactions energy: -729.567
where: short stacking energy: -338.465
Base-Backbone interact. energy: -2.444
local terms energy: -392.017145
where:
bonds (distance) C4'-P energy: -77.426
bonds (distance) P-C4' energy: -77.713
flat angles C4'-P-C4' energy: -85.344
flat angles P-C4'-P energy: -46.756
tors. eta vs tors. theta energy: -104.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1037.096009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.096009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.096009 (E_RNA)
where:
Base-Base interactions energy: -662.378
where: short stacking energy: -290.635
Base-Backbone interact. energy: -0.676
local terms energy: -374.042193
where:
bonds (distance) C4'-P energy: -78.275
bonds (distance) P-C4' energy: -79.014
flat angles C4'-P-C4' energy: -86.793
flat angles P-C4'-P energy: -50.428
tors. eta vs tors. theta energy: -79.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1031.260195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.260195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.260195 (E_RNA)
where:
Base-Base interactions energy: -670.550
where: short stacking energy: -294.922
Base-Backbone interact. energy: 1.325
local terms energy: -362.034934
where:
bonds (distance) C4'-P energy: -73.084
bonds (distance) P-C4' energy: -70.045
flat angles C4'-P-C4' energy: -78.717
flat angles P-C4'-P energy: -57.941
tors. eta vs tors. theta energy: -82.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -711.581136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.581136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.581136 (E_RNA)
where:
Base-Base interactions energy: -420.292
where: short stacking energy: -193.464
Base-Backbone interact. energy: 2.082
local terms energy: -293.371334
where:
bonds (distance) C4'-P energy: -69.430
bonds (distance) P-C4' energy: -73.606
flat angles C4'-P-C4' energy: -74.261
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: -38.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -600.863259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.863259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.863259 (E_RNA)
where:
Base-Base interactions energy: -344.291
where: short stacking energy: -163.530
Base-Backbone interact. energy: -0.654
local terms energy: -255.918369
where:
bonds (distance) C4'-P energy: -60.102
bonds (distance) P-C4' energy: -70.366
flat angles C4'-P-C4' energy: -69.915
flat angles P-C4'-P energy: -27.929
tors. eta vs tors. theta energy: -27.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -513.045605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.045605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.045605 (E_RNA)
where:
Base-Base interactions energy: -268.686
where: short stacking energy: -147.305
Base-Backbone interact. energy: -1.251
local terms energy: -243.108758
where:
bonds (distance) C4'-P energy: -77.110
bonds (distance) P-C4' energy: -62.233
flat angles C4'-P-C4' energy: -57.321
flat angles P-C4'-P energy: -41.679
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -351.696474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.696474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.696474 (E_RNA)
where:
Base-Base interactions energy: -133.165
where: short stacking energy: -94.192
Base-Backbone interact. energy: 0.814
local terms energy: -219.344981
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -64.467
flat angles C4'-P-C4' energy: -65.501
flat angles P-C4'-P energy: -33.831
tors. eta vs tors. theta energy: 9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -334.840169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.840169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.840169 (E_RNA)
where:
Base-Base interactions energy: -107.599
where: short stacking energy: -75.724
Base-Backbone interact. energy: 2.681
local terms energy: -229.921822
where:
bonds (distance) C4'-P energy: -65.977
bonds (distance) P-C4' energy: -57.933
flat angles C4'-P-C4' energy: -64.371
flat angles P-C4'-P energy: -47.998
tors. eta vs tors. theta energy: 6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1318.293874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.293874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.293874 (E_RNA)
where:
Base-Base interactions energy: -880.528
where: short stacking energy: -386.941
Base-Backbone interact. energy: -0.514
local terms energy: -437.252033
where:
bonds (distance) C4'-P energy: -68.657
bonds (distance) P-C4' energy: -84.358
flat angles C4'-P-C4' energy: -99.300
flat angles P-C4'-P energy: -63.095
tors. eta vs tors. theta energy: -121.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1120.948778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.948778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.948778 (E_RNA)
where:
Base-Base interactions energy: -723.026
where: short stacking energy: -305.321
Base-Backbone interact. energy: -3.440
local terms energy: -394.482849
where:
bonds (distance) C4'-P energy: -81.799
bonds (distance) P-C4' energy: -95.456
flat angles C4'-P-C4' energy: -79.881
flat angles P-C4'-P energy: -52.077
tors. eta vs tors. theta energy: -85.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1139.257341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.257341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.257341 (E_RNA)
where:
Base-Base interactions energy: -772.977
where: short stacking energy: -342.426
Base-Backbone interact. energy: 0.863
local terms energy: -367.143030
where:
bonds (distance) C4'-P energy: -63.739
bonds (distance) P-C4' energy: -81.095
flat angles C4'-P-C4' energy: -84.853
flat angles P-C4'-P energy: -48.513
tors. eta vs tors. theta energy: -88.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1041.396097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.396097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.396097 (E_RNA)
where:
Base-Base interactions energy: -678.835
where: short stacking energy: -283.467
Base-Backbone interact. energy: -0.529
local terms energy: -362.032462
where:
bonds (distance) C4'-P energy: -58.516
bonds (distance) P-C4' energy: -78.731
flat angles C4'-P-C4' energy: -83.576
flat angles P-C4'-P energy: -53.785
tors. eta vs tors. theta energy: -87.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -989.495091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.495091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.495091 (E_RNA)
where:
Base-Base interactions energy: -629.594
where: short stacking energy: -290.867
Base-Backbone interact. energy: 1.156
local terms energy: -361.057147
where:
bonds (distance) C4'-P energy: -71.591
bonds (distance) P-C4' energy: -78.290
flat angles C4'-P-C4' energy: -71.617
flat angles P-C4'-P energy: -53.032
tors. eta vs tors. theta energy: -86.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -695.079164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.079164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.079164 (E_RNA)
where:
Base-Base interactions energy: -411.675
where: short stacking energy: -181.206
Base-Backbone interact. energy: 3.630
local terms energy: -287.034077
where:
bonds (distance) C4'-P energy: -74.687
bonds (distance) P-C4' energy: -52.388
flat angles C4'-P-C4' energy: -75.052
flat angles P-C4'-P energy: -53.971
tors. eta vs tors. theta energy: -30.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -654.207865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.207865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.207865 (E_RNA)
where:
Base-Base interactions energy: -380.630
where: short stacking energy: -165.209
Base-Backbone interact. energy: -1.897
local terms energy: -271.681356
where:
bonds (distance) C4'-P energy: -61.273
bonds (distance) P-C4' energy: -77.931
flat angles C4'-P-C4' energy: -64.291
flat angles P-C4'-P energy: -41.291
tors. eta vs tors. theta energy: -26.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -545.765384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.765384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.765384 (E_RNA)
where:
Base-Base interactions energy: -277.233
where: short stacking energy: -166.319
Base-Backbone interact. energy: -3.808
local terms energy: -264.724546
where:
bonds (distance) C4'-P energy: -61.617
bonds (distance) P-C4' energy: -74.207
flat angles C4'-P-C4' energy: -65.561
flat angles P-C4'-P energy: -38.951
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -352.649235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.649235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.649235 (E_RNA)
where:
Base-Base interactions energy: -143.762
where: short stacking energy: -96.731
Base-Backbone interact. energy: -1.448
local terms energy: -207.439375
where:
bonds (distance) C4'-P energy: -61.397
bonds (distance) P-C4' energy: -63.522
flat angles C4'-P-C4' energy: -65.062
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: 8.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -329.448777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.448777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.448777 (E_RNA)
where:
Base-Base interactions energy: -129.472
where: short stacking energy: -89.596
Base-Backbone interact. energy: 0.591
local terms energy: -200.568076
where:
bonds (distance) C4'-P energy: -73.149
bonds (distance) P-C4' energy: -43.334
flat angles C4'-P-C4' energy: -63.951
flat angles P-C4'-P energy: -27.538
tors. eta vs tors. theta energy: 7.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1316.581282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.581282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.581282 (E_RNA)
where:
Base-Base interactions energy: -878.630
where: short stacking energy: -389.646
Base-Backbone interact. energy: -3.323
local terms energy: -434.628699
where:
bonds (distance) C4'-P energy: -82.334
bonds (distance) P-C4' energy: -82.198
flat angles C4'-P-C4' energy: -95.853
flat angles P-C4'-P energy: -50.210
tors. eta vs tors. theta energy: -124.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1124.756899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.756899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.756899 (E_RNA)
where:
Base-Base interactions energy: -744.992
where: short stacking energy: -352.700
Base-Backbone interact. energy: 2.126
local terms energy: -381.890318
where:
bonds (distance) C4'-P energy: -73.089
bonds (distance) P-C4' energy: -75.043
flat angles C4'-P-C4' energy: -96.064
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -99.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1165.457947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.457947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.457947 (E_RNA)
where:
Base-Base interactions energy: -766.353
where: short stacking energy: -339.121
Base-Backbone interact. energy: 1.069
local terms energy: -400.173557
where:
bonds (distance) C4'-P energy: -73.705
bonds (distance) P-C4' energy: -71.091
flat angles C4'-P-C4' energy: -91.033
flat angles P-C4'-P energy: -62.487
tors. eta vs tors. theta energy: -101.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1035.847298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.847298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.847298 (E_RNA)
where:
Base-Base interactions energy: -683.169
where: short stacking energy: -275.736
Base-Backbone interact. energy: -0.152
local terms energy: -352.526836
where:
bonds (distance) C4'-P energy: -70.881
bonds (distance) P-C4' energy: -70.572
flat angles C4'-P-C4' energy: -79.298
flat angles P-C4'-P energy: -48.810
tors. eta vs tors. theta energy: -82.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -972.467855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.467855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.467855 (E_RNA)
where:
Base-Base interactions energy: -642.564
where: short stacking energy: -301.413
Base-Backbone interact. energy: -0.610
local terms energy: -329.293400
where:
bonds (distance) C4'-P energy: -57.628
bonds (distance) P-C4' energy: -75.172
flat angles C4'-P-C4' energy: -80.934
flat angles P-C4'-P energy: -43.203
tors. eta vs tors. theta energy: -72.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -774.472367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.472367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.472367 (E_RNA)
where:
Base-Base interactions energy: -476.234
where: short stacking energy: -229.274
Base-Backbone interact. energy: -0.314
local terms energy: -297.924240
where:
bonds (distance) C4'-P energy: -62.389
bonds (distance) P-C4' energy: -80.153
flat angles C4'-P-C4' energy: -63.014
flat angles P-C4'-P energy: -46.308
tors. eta vs tors. theta energy: -46.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -635.929742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.929742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.929742 (E_RNA)
where:
Base-Base interactions energy: -384.665
where: short stacking energy: -174.857
Base-Backbone interact. energy: 0.557
local terms energy: -251.822064
where:
bonds (distance) C4'-P energy: -56.645
bonds (distance) P-C4' energy: -69.091
flat angles C4'-P-C4' energy: -65.627
flat angles P-C4'-P energy: -39.335
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -483.306181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.306181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.306181 (E_RNA)
where:
Base-Base interactions energy: -260.764
where: short stacking energy: -129.729
Base-Backbone interact. energy: 1.018
local terms energy: -223.559910
where:
bonds (distance) C4'-P energy: -63.222
bonds (distance) P-C4' energy: -60.621
flat angles C4'-P-C4' energy: -57.396
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -330.474814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.474814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.474814 (E_RNA)
where:
Base-Base interactions energy: -143.184
where: short stacking energy: -94.856
Base-Backbone interact. energy: 1.844
local terms energy: -189.135571
where:
bonds (distance) C4'-P energy: -53.040
bonds (distance) P-C4' energy: -56.754
flat angles C4'-P-C4' energy: -47.301
flat angles P-C4'-P energy: -40.809
tors. eta vs tors. theta energy: 8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -335.005489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.005489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.005489 (E_RNA)
where:
Base-Base interactions energy: -138.357
where: short stacking energy: -108.498
Base-Backbone interact. energy: 7.875
local terms energy: -204.523282
where:
bonds (distance) C4'-P energy: -48.372
bonds (distance) P-C4' energy: -76.600
flat angles C4'-P-C4' energy: -52.546
flat angles P-C4'-P energy: -32.251
tors. eta vs tors. theta energy: 5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1307.238300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.238300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.238300 (E_RNA)
where:
Base-Base interactions energy: -892.609
where: short stacking energy: -397.677
Base-Backbone interact. energy: -2.188
local terms energy: -412.441663
where:
bonds (distance) C4'-P energy: -72.107
bonds (distance) P-C4' energy: -67.323
flat angles C4'-P-C4' energy: -92.451
flat angles P-C4'-P energy: -57.205
tors. eta vs tors. theta energy: -123.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1145.667556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.667556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.667556 (E_RNA)
where:
Base-Base interactions energy: -750.703
where: short stacking energy: -357.731
Base-Backbone interact. energy: -0.729
local terms energy: -394.235480
where:
bonds (distance) C4'-P energy: -89.285
bonds (distance) P-C4' energy: -70.162
flat angles C4'-P-C4' energy: -78.910
flat angles P-C4'-P energy: -50.050
tors. eta vs tors. theta energy: -105.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1165.181200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.181200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.181200 (E_RNA)
where:
Base-Base interactions energy: -795.826
where: short stacking energy: -340.305
Base-Backbone interact. energy: -4.526
local terms energy: -364.829119
where:
bonds (distance) C4'-P energy: -68.212
bonds (distance) P-C4' energy: -71.395
flat angles C4'-P-C4' energy: -80.679
flat angles P-C4'-P energy: -49.763
tors. eta vs tors. theta energy: -94.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1083.372904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.372904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.372904 (E_RNA)
where:
Base-Base interactions energy: -734.922
where: short stacking energy: -323.728
Base-Backbone interact. energy: 0.146
local terms energy: -348.597053
where:
bonds (distance) C4'-P energy: -70.423
bonds (distance) P-C4' energy: -60.315
flat angles C4'-P-C4' energy: -77.983
flat angles P-C4'-P energy: -48.584
tors. eta vs tors. theta energy: -91.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -992.628099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.628099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.628099 (E_RNA)
where:
Base-Base interactions energy: -635.691
where: short stacking energy: -266.874
Base-Backbone interact. energy: -0.563
local terms energy: -356.374485
where:
bonds (distance) C4'-P energy: -77.016
bonds (distance) P-C4' energy: -79.662
flat angles C4'-P-C4' energy: -72.743
flat angles P-C4'-P energy: -51.884
tors. eta vs tors. theta energy: -75.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -765.829674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.829674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.829674 (E_RNA)
where:
Base-Base interactions energy: -471.182
where: short stacking energy: -232.684
Base-Backbone interact. energy: -3.259
local terms energy: -291.387891
where:
bonds (distance) C4'-P energy: -74.819
bonds (distance) P-C4' energy: -62.504
flat angles C4'-P-C4' energy: -65.955
flat angles P-C4'-P energy: -34.022
tors. eta vs tors. theta energy: -54.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -581.671068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.671068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.671068 (E_RNA)
where:
Base-Base interactions energy: -318.593
where: short stacking energy: -157.178
Base-Backbone interact. energy: 0.535
local terms energy: -263.612639
where:
bonds (distance) C4'-P energy: -65.065
bonds (distance) P-C4' energy: -84.091
flat angles C4'-P-C4' energy: -59.279
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -510.912091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.912091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.912091 (E_RNA)
where:
Base-Base interactions energy: -269.842
where: short stacking energy: -152.806
Base-Backbone interact. energy: -3.014
local terms energy: -238.056960
where:
bonds (distance) C4'-P energy: -52.989
bonds (distance) P-C4' energy: -72.816
flat angles C4'-P-C4' energy: -64.879
flat angles P-C4'-P energy: -31.502
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -326.328942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.328942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.328942 (E_RNA)
where:
Base-Base interactions energy: -123.750
where: short stacking energy: -91.774
Base-Backbone interact. energy: 4.633
local terms energy: -207.212047
where:
bonds (distance) C4'-P energy: -73.741
bonds (distance) P-C4' energy: -72.437
flat angles C4'-P-C4' energy: -37.816
flat angles P-C4'-P energy: -29.862
tors. eta vs tors. theta energy: 6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -302.289183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.289183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.289183 (E_RNA)
where:
Base-Base interactions energy: -109.347
where: short stacking energy: -80.695
Base-Backbone interact. energy: -0.803
local terms energy: -192.139195
where:
bonds (distance) C4'-P energy: -66.430
bonds (distance) P-C4' energy: -53.325
flat angles C4'-P-C4' energy: -49.572
flat angles P-C4'-P energy: -37.431
tors. eta vs tors. theta energy: 14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1317.430595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.430595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.430595 (E_RNA)
where:
Base-Base interactions energy: -879.468
where: short stacking energy: -391.808
Base-Backbone interact. energy: -2.696
local terms energy: -435.266554
where:
bonds (distance) C4'-P energy: -76.882
bonds (distance) P-C4' energy: -68.776
flat angles C4'-P-C4' energy: -97.866
flat angles P-C4'-P energy: -66.365
tors. eta vs tors. theta energy: -125.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1162.009665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.009665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.009665 (E_RNA)
where:
Base-Base interactions energy: -758.497
where: short stacking energy: -353.649
Base-Backbone interact. energy: 1.595
local terms energy: -405.107197
where:
bonds (distance) C4'-P energy: -78.650
bonds (distance) P-C4' energy: -73.731
flat angles C4'-P-C4' energy: -92.321
flat angles P-C4'-P energy: -54.433
tors. eta vs tors. theta energy: -105.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1154.234446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.234446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.234446 (E_RNA)
where:
Base-Base interactions energy: -769.214
where: short stacking energy: -317.051
Base-Backbone interact. energy: -3.349
local terms energy: -381.671900
where:
bonds (distance) C4'-P energy: -75.814
bonds (distance) P-C4' energy: -83.401
flat angles C4'-P-C4' energy: -80.749
flat angles P-C4'-P energy: -51.119
tors. eta vs tors. theta energy: -90.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1099.584593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.584593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.584593 (E_RNA)
where:
Base-Base interactions energy: -751.010
where: short stacking energy: -293.430
Base-Backbone interact. energy: -0.993
local terms energy: -347.581525
where:
bonds (distance) C4'-P energy: -72.106
bonds (distance) P-C4' energy: -67.571
flat angles C4'-P-C4' energy: -86.364
flat angles P-C4'-P energy: -48.825
tors. eta vs tors. theta energy: -72.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -919.470133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.470133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.470133 (E_RNA)
where:
Base-Base interactions energy: -581.927
where: short stacking energy: -250.102
Base-Backbone interact. energy: 1.297
local terms energy: -338.840007
where:
bonds (distance) C4'-P energy: -78.973
bonds (distance) P-C4' energy: -84.387
flat angles C4'-P-C4' energy: -58.410
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: -78.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -789.648941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.648941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.648941 (E_RNA)
where:
Base-Base interactions energy: -480.061
where: short stacking energy: -206.736
Base-Backbone interact. energy: -1.607
local terms energy: -307.981254
where:
bonds (distance) C4'-P energy: -80.280
bonds (distance) P-C4' energy: -82.482
flat angles C4'-P-C4' energy: -63.842
flat angles P-C4'-P energy: -46.898
tors. eta vs tors. theta energy: -34.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -622.720944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.720944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.720944 (E_RNA)
where:
Base-Base interactions energy: -351.003
where: short stacking energy: -148.463
Base-Backbone interact. energy: -0.671
local terms energy: -271.046748
where:
bonds (distance) C4'-P energy: -70.753
bonds (distance) P-C4' energy: -69.658
flat angles C4'-P-C4' energy: -74.503
flat angles P-C4'-P energy: -46.759
tors. eta vs tors. theta energy: -9.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -479.170701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.170701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.170701 (E_RNA)
where:
Base-Base interactions energy: -238.362
where: short stacking energy: -141.399
Base-Backbone interact. energy: 3.667
local terms energy: -244.475749
where:
bonds (distance) C4'-P energy: -52.417
bonds (distance) P-C4' energy: -77.660
flat angles C4'-P-C4' energy: -63.849
flat angles P-C4'-P energy: -36.580
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -346.880787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.880787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.880787 (E_RNA)
where:
Base-Base interactions energy: -132.640
where: short stacking energy: -107.021
Base-Backbone interact. energy: -2.276
local terms energy: -211.964805
where:
bonds (distance) C4'-P energy: -63.079
bonds (distance) P-C4' energy: -69.000
flat angles C4'-P-C4' energy: -50.670
flat angles P-C4'-P energy: -37.181
tors. eta vs tors. theta energy: 7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -313.794408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.794408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.794408 (E_RNA)
where:
Base-Base interactions energy: -87.934
where: short stacking energy: -77.762
Base-Backbone interact. energy: -0.832
local terms energy: -225.028763
where:
bonds (distance) C4'-P energy: -67.883
bonds (distance) P-C4' energy: -77.849
flat angles C4'-P-C4' energy: -49.565
flat angles P-C4'-P energy: -30.547
tors. eta vs tors. theta energy: 0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1336.577514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.577514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.577514 (E_RNA)
where:
Base-Base interactions energy: -913.931
where: short stacking energy: -385.832
Base-Backbone interact. energy: -0.455
local terms energy: -422.191937
where:
bonds (distance) C4'-P energy: -77.178
bonds (distance) P-C4' energy: -75.915
flat angles C4'-P-C4' energy: -97.617
flat angles P-C4'-P energy: -54.444
tors. eta vs tors. theta energy: -117.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1164.496799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.496799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.496799 (E_RNA)
where:
Base-Base interactions energy: -757.626
where: short stacking energy: -340.539
Base-Backbone interact. energy: -1.923
local terms energy: -404.948308
where:
bonds (distance) C4'-P energy: -74.851
bonds (distance) P-C4' energy: -87.433
flat angles C4'-P-C4' energy: -86.190
flat angles P-C4'-P energy: -61.459
tors. eta vs tors. theta energy: -95.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1150.919950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.919950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.919950 (E_RNA)
where:
Base-Base interactions energy: -771.859
where: short stacking energy: -336.177
Base-Backbone interact. energy: -1.922
local terms energy: -377.139520
where:
bonds (distance) C4'-P energy: -71.565
bonds (distance) P-C4' energy: -74.827
flat angles C4'-P-C4' energy: -78.305
flat angles P-C4'-P energy: -54.581
tors. eta vs tors. theta energy: -97.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1081.480385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.480385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.480385 (E_RNA)
where:
Base-Base interactions energy: -728.429
where: short stacking energy: -305.097
Base-Backbone interact. energy: -2.534
local terms energy: -350.517565
where:
bonds (distance) C4'-P energy: -57.897
bonds (distance) P-C4' energy: -64.919
flat angles C4'-P-C4' energy: -88.678
flat angles P-C4'-P energy: -56.731
tors. eta vs tors. theta energy: -82.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -961.572199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.572199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.572199 (E_RNA)
where:
Base-Base interactions energy: -619.565
where: short stacking energy: -267.008
Base-Backbone interact. energy: 0.959
local terms energy: -342.965774
where:
bonds (distance) C4'-P energy: -76.636
bonds (distance) P-C4' energy: -66.354
flat angles C4'-P-C4' energy: -71.835
flat angles P-C4'-P energy: -57.932
tors. eta vs tors. theta energy: -70.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -796.670868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.670868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.670868 (E_RNA)
where:
Base-Base interactions energy: -495.776
where: short stacking energy: -209.459
Base-Backbone interact. energy: 0.863
local terms energy: -301.757890
where:
bonds (distance) C4'-P energy: -69.299
bonds (distance) P-C4' energy: -75.556
flat angles C4'-P-C4' energy: -61.165
flat angles P-C4'-P energy: -50.370
tors. eta vs tors. theta energy: -45.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -700.152721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.152721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.152721 (E_RNA)
where:
Base-Base interactions energy: -430.080
where: short stacking energy: -195.024
Base-Backbone interact. energy: 2.135
local terms energy: -272.207919
where:
bonds (distance) C4'-P energy: -67.896
bonds (distance) P-C4' energy: -69.559
flat angles C4'-P-C4' energy: -55.962
flat angles P-C4'-P energy: -48.758
tors. eta vs tors. theta energy: -30.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -424.239344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.239344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.239344 (E_RNA)
where:
Base-Base interactions energy: -197.652
where: short stacking energy: -124.004
Base-Backbone interact. energy: 1.810
local terms energy: -228.397480
where:
bonds (distance) C4'-P energy: -70.945
bonds (distance) P-C4' energy: -78.809
flat angles C4'-P-C4' energy: -55.737
flat angles P-C4'-P energy: -27.621
tors. eta vs tors. theta energy: 4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -341.184487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.184487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.184487 (E_RNA)
where:
Base-Base interactions energy: -118.645
where: short stacking energy: -104.680
Base-Backbone interact. energy: 3.737
local terms energy: -226.276067
where:
bonds (distance) C4'-P energy: -70.953
bonds (distance) P-C4' energy: -74.143
flat angles C4'-P-C4' energy: -60.089
flat angles P-C4'-P energy: -21.141
tors. eta vs tors. theta energy: 0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -332.879675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.879675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.879675 (E_RNA)
where:
Base-Base interactions energy: -119.940
where: short stacking energy: -104.445
Base-Backbone interact. energy: 4.144
local terms energy: -217.083795
where:
bonds (distance) C4'-P energy: -67.459
bonds (distance) P-C4' energy: -73.493
flat angles C4'-P-C4' energy: -56.592
flat angles P-C4'-P energy: -29.918
tors. eta vs tors. theta energy: 10.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1339.438350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.438350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.438350 (E_RNA)
where:
Base-Base interactions energy: -884.682
where: short stacking energy: -374.684
Base-Backbone interact. energy: -1.501
local terms energy: -453.255142
where:
bonds (distance) C4'-P energy: -81.714
bonds (distance) P-C4' energy: -83.967
flat angles C4'-P-C4' energy: -92.646
flat angles P-C4'-P energy: -66.581
tors. eta vs tors. theta energy: -128.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1180.993559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.993559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.993559 (E_RNA)
where:
Base-Base interactions energy: -787.390
where: short stacking energy: -324.684
Base-Backbone interact. energy: 0.534
local terms energy: -394.137494
where:
bonds (distance) C4'-P energy: -81.532
bonds (distance) P-C4' energy: -74.713
flat angles C4'-P-C4' energy: -87.064
flat angles P-C4'-P energy: -62.425
tors. eta vs tors. theta energy: -88.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1184.943671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.943671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.943671 (E_RNA)
where:
Base-Base interactions energy: -790.265
where: short stacking energy: -350.138
Base-Backbone interact. energy: -1.267
local terms energy: -393.411226
where:
bonds (distance) C4'-P energy: -82.045
bonds (distance) P-C4' energy: -81.111
flat angles C4'-P-C4' energy: -80.653
flat angles P-C4'-P energy: -54.845
tors. eta vs tors. theta energy: -94.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1071.267803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.267803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.267803 (E_RNA)
where:
Base-Base interactions energy: -712.256
where: short stacking energy: -295.689
Base-Backbone interact. energy: -0.132
local terms energy: -358.880642
where:
bonds (distance) C4'-P energy: -69.419
bonds (distance) P-C4' energy: -80.929
flat angles C4'-P-C4' energy: -88.034
flat angles P-C4'-P energy: -46.071
tors. eta vs tors. theta energy: -74.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -980.101272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.101272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.101272 (E_RNA)
where:
Base-Base interactions energy: -650.664
where: short stacking energy: -279.624
Base-Backbone interact. energy: -1.182
local terms energy: -328.255219
where:
bonds (distance) C4'-P energy: -60.985
bonds (distance) P-C4' energy: -67.618
flat angles C4'-P-C4' energy: -76.961
flat angles P-C4'-P energy: -44.646
tors. eta vs tors. theta energy: -78.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -800.825242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.825242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.825242 (E_RNA)
where:
Base-Base interactions energy: -485.790
where: short stacking energy: -235.560
Base-Backbone interact. energy: 3.115
local terms energy: -318.151046
where:
bonds (distance) C4'-P energy: -67.874
bonds (distance) P-C4' energy: -66.977
flat angles C4'-P-C4' energy: -73.057
flat angles P-C4'-P energy: -53.000
tors. eta vs tors. theta energy: -57.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -693.412390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.412390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.412390 (E_RNA)
where:
Base-Base interactions energy: -416.464
where: short stacking energy: -189.662
Base-Backbone interact. energy: 2.892
local terms energy: -279.840920
where:
bonds (distance) C4'-P energy: -64.363
bonds (distance) P-C4' energy: -63.721
flat angles C4'-P-C4' energy: -71.111
flat angles P-C4'-P energy: -38.412
tors. eta vs tors. theta energy: -42.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -457.913389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.913389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.913389 (E_RNA)
where:
Base-Base interactions energy: -228.389
where: short stacking energy: -123.226
Base-Backbone interact. energy: 3.561
local terms energy: -233.085565
where:
bonds (distance) C4'-P energy: -67.279
bonds (distance) P-C4' energy: -66.601
flat angles C4'-P-C4' energy: -61.952
flat angles P-C4'-P energy: -32.533
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -397.056881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.056881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.056881 (E_RNA)
where:
Base-Base interactions energy: -185.088
where: short stacking energy: -107.335
Base-Backbone interact. energy: -0.619
local terms energy: -211.349364
where:
bonds (distance) C4'-P energy: -47.984
bonds (distance) P-C4' energy: -76.138
flat angles C4'-P-C4' energy: -44.829
flat angles P-C4'-P energy: -43.502
tors. eta vs tors. theta energy: 1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -318.148908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.148908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.148908 (E_RNA)
where:
Base-Base interactions energy: -125.227
where: short stacking energy: -106.672
Base-Backbone interact. energy: 1.893
local terms energy: -194.814629
where:
bonds (distance) C4'-P energy: -51.790
bonds (distance) P-C4' energy: -66.631
flat angles C4'-P-C4' energy: -51.898
flat angles P-C4'-P energy: -40.065
tors. eta vs tors. theta energy: 15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1312.547799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.547799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.547799 (E_RNA)
where:
Base-Base interactions energy: -890.485
where: short stacking energy: -390.607
Base-Backbone interact. energy: -1.485
local terms energy: -420.577741
where:
bonds (distance) C4'-P energy: -69.264
bonds (distance) P-C4' energy: -78.949
flat angles C4'-P-C4' energy: -93.927
flat angles P-C4'-P energy: -59.186
tors. eta vs tors. theta energy: -119.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1204.314251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.314251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.314251 (E_RNA)
where:
Base-Base interactions energy: -809.506
where: short stacking energy: -354.273
Base-Backbone interact. energy: -2.848
local terms energy: -391.959705
where:
bonds (distance) C4'-P energy: -80.040
bonds (distance) P-C4' energy: -76.951
flat angles C4'-P-C4' energy: -76.632
flat angles P-C4'-P energy: -54.194
tors. eta vs tors. theta energy: -104.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1124.486274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.486274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.486274 (E_RNA)
where:
Base-Base interactions energy: -752.866
where: short stacking energy: -295.724
Base-Backbone interact. energy: -1.692
local terms energy: -369.928502
where:
bonds (distance) C4'-P energy: -75.752
bonds (distance) P-C4' energy: -77.446
flat angles C4'-P-C4' energy: -74.321
flat angles P-C4'-P energy: -57.417
tors. eta vs tors. theta energy: -84.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1068.119340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.119340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.119340 (E_RNA)
where:
Base-Base interactions energy: -729.250
where: short stacking energy: -320.549
Base-Backbone interact. energy: -1.526
local terms energy: -337.343286
where:
bonds (distance) C4'-P energy: -54.560
bonds (distance) P-C4' energy: -64.795
flat angles C4'-P-C4' energy: -78.201
flat angles P-C4'-P energy: -60.981
tors. eta vs tors. theta energy: -78.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -964.400458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.400458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.400458 (E_RNA)
where:
Base-Base interactions energy: -632.647
where: short stacking energy: -263.692
Base-Backbone interact. energy: -0.193
local terms energy: -331.560687
where:
bonds (distance) C4'-P energy: -67.520
bonds (distance) P-C4' energy: -74.351
flat angles C4'-P-C4' energy: -71.548
flat angles P-C4'-P energy: -46.562
tors. eta vs tors. theta energy: -71.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -772.078004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.078004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.078004 (E_RNA)
where:
Base-Base interactions energy: -477.748
where: short stacking energy: -227.039
Base-Backbone interact. energy: -1.329
local terms energy: -293.000291
where:
bonds (distance) C4'-P energy: -55.358
bonds (distance) P-C4' energy: -64.466
flat angles C4'-P-C4' energy: -77.577
flat angles P-C4'-P energy: -35.060
tors. eta vs tors. theta energy: -60.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -755.312937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.312937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.312937 (E_RNA)
where:
Base-Base interactions energy: -468.038
where: short stacking energy: -222.950
Base-Backbone interact. energy: 0.332
local terms energy: -287.606503
where:
bonds (distance) C4'-P energy: -57.987
bonds (distance) P-C4' energy: -55.004
flat angles C4'-P-C4' energy: -80.606
flat angles P-C4'-P energy: -44.614
tors. eta vs tors. theta energy: -49.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -502.162496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.162496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.162496 (E_RNA)
where:
Base-Base interactions energy: -230.628
where: short stacking energy: -131.179
Base-Backbone interact. energy: -1.280
local terms energy: -270.254462
where:
bonds (distance) C4'-P energy: -70.316
bonds (distance) P-C4' energy: -66.693
flat angles C4'-P-C4' energy: -85.342
flat angles P-C4'-P energy: -36.270
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -411.959530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.959530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.959530 (E_RNA)
where:
Base-Base interactions energy: -183.000
where: short stacking energy: -116.588
Base-Backbone interact. energy: 1.651
local terms energy: -230.610872
where:
bonds (distance) C4'-P energy: -63.809
bonds (distance) P-C4' energy: -62.290
flat angles C4'-P-C4' energy: -59.465
flat angles P-C4'-P energy: -35.160
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -318.630369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.630369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.630369 (E_RNA)
where:
Base-Base interactions energy: -94.224
where: short stacking energy: -82.771
Base-Backbone interact. energy: 1.166
local terms energy: -225.571943
where:
bonds (distance) C4'-P energy: -74.865
bonds (distance) P-C4' energy: -57.032
flat angles C4'-P-C4' energy: -56.174
flat angles P-C4'-P energy: -45.241
tors. eta vs tors. theta energy: 7.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1325.818763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.818763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.818763 (E_RNA)
where:
Base-Base interactions energy: -893.453
where: short stacking energy: -378.753
Base-Backbone interact. energy: -0.277
local terms energy: -432.088321
where:
bonds (distance) C4'-P energy: -73.596
bonds (distance) P-C4' energy: -82.661
flat angles C4'-P-C4' energy: -91.285
flat angles P-C4'-P energy: -64.098
tors. eta vs tors. theta energy: -120.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1210.746061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.746061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.746061 (E_RNA)
where:
Base-Base interactions energy: -808.144
where: short stacking energy: -354.526
Base-Backbone interact. energy: -3.293
local terms energy: -399.308355
where:
bonds (distance) C4'-P energy: -66.947
bonds (distance) P-C4' energy: -83.515
flat angles C4'-P-C4' energy: -87.365
flat angles P-C4'-P energy: -51.748
tors. eta vs tors. theta energy: -109.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1136.373295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.373295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.373295 (E_RNA)
where:
Base-Base interactions energy: -771.889
where: short stacking energy: -307.988
Base-Backbone interact. energy: 2.421
local terms energy: -366.904359
where:
bonds (distance) C4'-P energy: -80.951
bonds (distance) P-C4' energy: -71.793
flat angles C4'-P-C4' energy: -80.740
flat angles P-C4'-P energy: -43.067
tors. eta vs tors. theta energy: -90.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1093.863980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.863980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.863980 (E_RNA)
where:
Base-Base interactions energy: -730.254
where: short stacking energy: -287.416
Base-Backbone interact. energy: 1.073
local terms energy: -364.683396
where:
bonds (distance) C4'-P energy: -74.775
bonds (distance) P-C4' energy: -77.161
flat angles C4'-P-C4' energy: -73.391
flat angles P-C4'-P energy: -55.740
tors. eta vs tors. theta energy: -83.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -972.325607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.325607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.325607 (E_RNA)
where:
Base-Base interactions energy: -630.007
where: short stacking energy: -272.169
Base-Backbone interact. energy: -1.887
local terms energy: -340.430773
where:
bonds (distance) C4'-P energy: -65.076
bonds (distance) P-C4' energy: -76.438
flat angles C4'-P-C4' energy: -77.669
flat angles P-C4'-P energy: -45.216
tors. eta vs tors. theta energy: -76.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -769.814200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.814200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.814200 (E_RNA)
where:
Base-Base interactions energy: -453.600
where: short stacking energy: -222.976
Base-Backbone interact. energy: 0.191
local terms energy: -316.405464
where:
bonds (distance) C4'-P energy: -83.387
bonds (distance) P-C4' energy: -71.944
flat angles C4'-P-C4' energy: -69.451
flat angles P-C4'-P energy: -51.328
tors. eta vs tors. theta energy: -40.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -789.556741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.556741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.556741 (E_RNA)
where:
Base-Base interactions energy: -476.711
where: short stacking energy: -230.834
Base-Backbone interact. energy: -2.254
local terms energy: -310.592008
where:
bonds (distance) C4'-P energy: -73.756
bonds (distance) P-C4' energy: -70.102
flat angles C4'-P-C4' energy: -70.790
flat angles P-C4'-P energy: -36.431
tors. eta vs tors. theta energy: -59.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -491.261754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.261754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.261754 (E_RNA)
where:
Base-Base interactions energy: -244.951
where: short stacking energy: -132.482
Base-Backbone interact. energy: 0.713
local terms energy: -247.023555
where:
bonds (distance) C4'-P energy: -64.323
bonds (distance) P-C4' energy: -66.793
flat angles C4'-P-C4' energy: -64.283
flat angles P-C4'-P energy: -46.317
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -353.562446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.562446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.562446 (E_RNA)
where:
Base-Base interactions energy: -114.453
where: short stacking energy: -87.524
Base-Backbone interact. energy: -1.623
local terms energy: -237.486201
where:
bonds (distance) C4'-P energy: -68.812
bonds (distance) P-C4' energy: -64.529
flat angles C4'-P-C4' energy: -64.764
flat angles P-C4'-P energy: -47.316
tors. eta vs tors. theta energy: 7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -352.174912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.174912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.174912 (E_RNA)
where:
Base-Base interactions energy: -140.904
where: short stacking energy: -90.644
Base-Backbone interact. energy: 3.397
local terms energy: -214.667579
where:
bonds (distance) C4'-P energy: -66.431
bonds (distance) P-C4' energy: -67.558
flat angles C4'-P-C4' energy: -65.024
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: 17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1312.147441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.147441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.147441 (E_RNA)
where:
Base-Base interactions energy: -861.966
where: short stacking energy: -380.878
Base-Backbone interact. energy: -0.655
local terms energy: -449.526853
where:
bonds (distance) C4'-P energy: -85.379
bonds (distance) P-C4' energy: -83.744
flat angles C4'-P-C4' energy: -95.196
flat angles P-C4'-P energy: -62.424
tors. eta vs tors. theta energy: -122.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1213.909287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.909287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.909287 (E_RNA)
where:
Base-Base interactions energy: -797.130
where: short stacking energy: -371.800
Base-Backbone interact. energy: 0.040
local terms energy: -416.819340
where:
bonds (distance) C4'-P energy: -80.911
bonds (distance) P-C4' energy: -86.202
flat angles C4'-P-C4' energy: -92.029
flat angles P-C4'-P energy: -53.740
tors. eta vs tors. theta energy: -103.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1128.919828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.919828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.919828 (E_RNA)
where:
Base-Base interactions energy: -761.904
where: short stacking energy: -313.436
Base-Backbone interact. energy: -3.198
local terms energy: -363.817811
where:
bonds (distance) C4'-P energy: -74.787
bonds (distance) P-C4' energy: -76.846
flat angles C4'-P-C4' energy: -79.843
flat angles P-C4'-P energy: -53.841
tors. eta vs tors. theta energy: -78.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1060.142052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.142052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.142052 (E_RNA)
where:
Base-Base interactions energy: -697.484
where: short stacking energy: -285.307
Base-Backbone interact. energy: -0.890
local terms energy: -361.767693
where:
bonds (distance) C4'-P energy: -74.197
bonds (distance) P-C4' energy: -81.834
flat angles C4'-P-C4' energy: -78.727
flat angles P-C4'-P energy: -50.841
tors. eta vs tors. theta energy: -76.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -995.835615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.835615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.835615 (E_RNA)
where:
Base-Base interactions energy: -640.895
where: short stacking energy: -279.226
Base-Backbone interact. energy: -0.936
local terms energy: -354.004938
where:
bonds (distance) C4'-P energy: -85.965
bonds (distance) P-C4' energy: -66.660
flat angles C4'-P-C4' energy: -76.848
flat angles P-C4'-P energy: -54.727
tors. eta vs tors. theta energy: -69.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -771.681956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.681956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.681956 (E_RNA)
where:
Base-Base interactions energy: -451.860
where: short stacking energy: -225.639
Base-Backbone interact. energy: -1.795
local terms energy: -318.026387
where:
bonds (distance) C4'-P energy: -63.943
bonds (distance) P-C4' energy: -73.769
flat angles C4'-P-C4' energy: -70.122
flat angles P-C4'-P energy: -50.718
tors. eta vs tors. theta energy: -59.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -668.141467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.141467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.141467 (E_RNA)
where:
Base-Base interactions energy: -394.531
where: short stacking energy: -187.058
Base-Backbone interact. energy: 3.623
local terms energy: -277.233540
where:
bonds (distance) C4'-P energy: -70.767
bonds (distance) P-C4' energy: -62.737
flat angles C4'-P-C4' energy: -68.025
flat angles P-C4'-P energy: -45.078
tors. eta vs tors. theta energy: -30.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -485.194316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.194316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.194316 (E_RNA)
where:
Base-Base interactions energy: -220.978
where: short stacking energy: -150.348
Base-Backbone interact. energy: 0.358
local terms energy: -264.573726
where:
bonds (distance) C4'-P energy: -64.954
bonds (distance) P-C4' energy: -75.484
flat angles C4'-P-C4' energy: -64.248
flat angles P-C4'-P energy: -39.548
tors. eta vs tors. theta energy: -20.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -329.680916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.680916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.680916 (E_RNA)
where:
Base-Base interactions energy: -134.591
where: short stacking energy: -124.152
Base-Backbone interact. energy: 2.004
local terms energy: -197.094242
where:
bonds (distance) C4'-P energy: -58.997
bonds (distance) P-C4' energy: -67.943
flat angles C4'-P-C4' energy: -52.569
flat angles P-C4'-P energy: -25.513
tors. eta vs tors. theta energy: 7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -337.433064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.433064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.433064 (E_RNA)
where:
Base-Base interactions energy: -146.525
where: short stacking energy: -86.170
Base-Backbone interact. energy: 1.829
local terms energy: -192.736533
where:
bonds (distance) C4'-P energy: -58.301
bonds (distance) P-C4' energy: -59.563
flat angles C4'-P-C4' energy: -44.904
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: 9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1327.489454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.489454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.489454 (E_RNA)
where:
Base-Base interactions energy: -897.021
where: short stacking energy: -392.327
Base-Backbone interact. energy: -1.996
local terms energy: -428.472143
where:
bonds (distance) C4'-P energy: -66.873
bonds (distance) P-C4' energy: -84.054
flat angles C4'-P-C4' energy: -89.957
flat angles P-C4'-P energy: -59.924
tors. eta vs tors. theta energy: -127.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1192.461083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.461083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.461083 (E_RNA)
where:
Base-Base interactions energy: -805.556
where: short stacking energy: -346.186
Base-Backbone interact. energy: 3.142
local terms energy: -390.047670
where:
bonds (distance) C4'-P energy: -69.661
bonds (distance) P-C4' energy: -86.108
flat angles C4'-P-C4' energy: -87.786
flat angles P-C4'-P energy: -50.900
tors. eta vs tors. theta energy: -95.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1118.680708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.680708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.680708 (E_RNA)
where:
Base-Base interactions energy: -734.351
where: short stacking energy: -320.466
Base-Backbone interact. energy: -1.297
local terms energy: -383.032366
where:
bonds (distance) C4'-P energy: -80.525
bonds (distance) P-C4' energy: -75.837
flat angles C4'-P-C4' energy: -73.324
flat angles P-C4'-P energy: -55.875
tors. eta vs tors. theta energy: -97.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1064.725928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.725928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.725928 (E_RNA)
where:
Base-Base interactions energy: -725.841
where: short stacking energy: -300.628
Base-Backbone interact. energy: -1.594
local terms energy: -337.291005
where:
bonds (distance) C4'-P energy: -64.687
bonds (distance) P-C4' energy: -61.424
flat angles C4'-P-C4' energy: -82.752
flat angles P-C4'-P energy: -42.950
tors. eta vs tors. theta energy: -85.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1001.698872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.698872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.698872 (E_RNA)
where:
Base-Base interactions energy: -640.623
where: short stacking energy: -282.761
Base-Backbone interact. energy: -2.125
local terms energy: -358.950774
where:
bonds (distance) C4'-P energy: -66.336
bonds (distance) P-C4' energy: -82.771
flat angles C4'-P-C4' energy: -82.469
flat angles P-C4'-P energy: -46.566
tors. eta vs tors. theta energy: -80.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -807.923965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.923965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.923965 (E_RNA)
where:
Base-Base interactions energy: -497.764
where: short stacking energy: -224.044
Base-Backbone interact. energy: -1.704
local terms energy: -308.455490
where:
bonds (distance) C4'-P energy: -72.412
bonds (distance) P-C4' energy: -78.310
flat angles C4'-P-C4' energy: -69.357
flat angles P-C4'-P energy: -44.457
tors. eta vs tors. theta energy: -43.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -654.082490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.082490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.082490 (E_RNA)
where:
Base-Base interactions energy: -359.715
where: short stacking energy: -165.565
Base-Backbone interact. energy: -0.120
local terms energy: -294.247467
where:
bonds (distance) C4'-P energy: -71.808
bonds (distance) P-C4' energy: -73.906
flat angles C4'-P-C4' energy: -71.791
flat angles P-C4'-P energy: -48.820
tors. eta vs tors. theta energy: -27.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -495.510861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.510861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.510861 (E_RNA)
where:
Base-Base interactions energy: -254.027
where: short stacking energy: -142.150
Base-Backbone interact. energy: -1.276
local terms energy: -240.207770
where:
bonds (distance) C4'-P energy: -64.599
bonds (distance) P-C4' energy: -63.981
flat angles C4'-P-C4' energy: -66.380
flat angles P-C4'-P energy: -41.372
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -337.920057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.920057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.920057 (E_RNA)
where:
Base-Base interactions energy: -120.093
where: short stacking energy: -77.111
Base-Backbone interact. energy: -2.265
local terms energy: -215.562495
where:
bonds (distance) C4'-P energy: -70.044
bonds (distance) P-C4' energy: -59.924
flat angles C4'-P-C4' energy: -53.846
flat angles P-C4'-P energy: -35.024
tors. eta vs tors. theta energy: 3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -327.618261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.618261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.618261 (E_RNA)
where:
Base-Base interactions energy: -136.507
where: short stacking energy: -94.443
Base-Backbone interact. energy: 2.476
local terms energy: -193.587792
where:
bonds (distance) C4'-P energy: -69.728
bonds (distance) P-C4' energy: -71.184
flat angles C4'-P-C4' energy: -49.831
flat angles P-C4'-P energy: -25.740
tors. eta vs tors. theta energy: 22.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1319.078634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.078634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.078634 (E_RNA)
where:
Base-Base interactions energy: -893.264
where: short stacking energy: -397.202
Base-Backbone interact. energy: -0.275
local terms energy: -425.539880
where:
bonds (distance) C4'-P energy: -78.008
bonds (distance) P-C4' energy: -83.398
flat angles C4'-P-C4' energy: -86.348
flat angles P-C4'-P energy: -60.117
tors. eta vs tors. theta energy: -117.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1223.168112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.168112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.168112 (E_RNA)
where:
Base-Base interactions energy: -810.635
where: short stacking energy: -352.408
Base-Backbone interact. energy: -4.314
local terms energy: -408.218536
where:
bonds (distance) C4'-P energy: -85.626
bonds (distance) P-C4' energy: -73.502
flat angles C4'-P-C4' energy: -83.142
flat angles P-C4'-P energy: -63.033
tors. eta vs tors. theta energy: -102.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1105.465882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.465882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.465882 (E_RNA)
where:
Base-Base interactions energy: -727.470
where: short stacking energy: -324.135
Base-Backbone interact. energy: -2.487
local terms energy: -375.508186
where:
bonds (distance) C4'-P energy: -76.925
bonds (distance) P-C4' energy: -66.036
flat angles C4'-P-C4' energy: -82.672
flat angles P-C4'-P energy: -53.299
tors. eta vs tors. theta energy: -96.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1057.294573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.294573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.294573 (E_RNA)
where:
Base-Base interactions energy: -686.426
where: short stacking energy: -306.480
Base-Backbone interact. energy: -3.137
local terms energy: -367.732068
where:
bonds (distance) C4'-P energy: -71.647
bonds (distance) P-C4' energy: -84.909
flat angles C4'-P-C4' energy: -77.213
flat angles P-C4'-P energy: -53.058
tors. eta vs tors. theta energy: -80.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1003.433431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.433431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.433431 (E_RNA)
where:
Base-Base interactions energy: -643.873
where: short stacking energy: -294.597
Base-Backbone interact. energy: 0.296
local terms energy: -359.856696
where:
bonds (distance) C4'-P energy: -79.621
bonds (distance) P-C4' energy: -78.073
flat angles C4'-P-C4' energy: -80.596
flat angles P-C4'-P energy: -47.354
tors. eta vs tors. theta energy: -74.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -812.203529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.203529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.203529 (E_RNA)
where:
Base-Base interactions energy: -492.421
where: short stacking energy: -218.315
Base-Backbone interact. energy: 1.704
local terms energy: -321.486624
where:
bonds (distance) C4'-P energy: -82.017
bonds (distance) P-C4' energy: -70.815
flat angles C4'-P-C4' energy: -62.430
flat angles P-C4'-P energy: -58.099
tors. eta vs tors. theta energy: -48.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -693.366225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.366225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.366225 (E_RNA)
where:
Base-Base interactions energy: -378.008
where: short stacking energy: -187.089
Base-Backbone interact. energy: 0.750
local terms energy: -316.108796
where:
bonds (distance) C4'-P energy: -72.844
bonds (distance) P-C4' energy: -66.659
flat angles C4'-P-C4' energy: -82.217
flat angles P-C4'-P energy: -44.739
tors. eta vs tors. theta energy: -49.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -489.483687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.483687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.483687 (E_RNA)
where:
Base-Base interactions energy: -240.099
where: short stacking energy: -143.186
Base-Backbone interact. energy: -2.057
local terms energy: -247.327457
where:
bonds (distance) C4'-P energy: -56.551
bonds (distance) P-C4' energy: -74.616
flat angles C4'-P-C4' energy: -62.070
flat angles P-C4'-P energy: -38.620
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -338.889338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.889338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.889338 (E_RNA)
where:
Base-Base interactions energy: -107.928
where: short stacking energy: -88.744
Base-Backbone interact. energy: -2.558
local terms energy: -228.403149
where:
bonds (distance) C4'-P energy: -72.213
bonds (distance) P-C4' energy: -71.643
flat angles C4'-P-C4' energy: -62.343
flat angles P-C4'-P energy: -35.709
tors. eta vs tors. theta energy: 13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -335.598739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.598739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.598739 (E_RNA)
where:
Base-Base interactions energy: -121.896
where: short stacking energy: -86.379
Base-Backbone interact. energy: 0.245
local terms energy: -213.947624
where:
bonds (distance) C4'-P energy: -55.855
bonds (distance) P-C4' energy: -79.547
flat angles C4'-P-C4' energy: -54.052
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1331.712546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.712546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.712546 (E_RNA)
where:
Base-Base interactions energy: -904.524
where: short stacking energy: -390.569
Base-Backbone interact. energy: 0.010
local terms energy: -427.197616
where:
bonds (distance) C4'-P energy: -84.078
bonds (distance) P-C4' energy: -84.463
flat angles C4'-P-C4' energy: -88.083
flat angles P-C4'-P energy: -49.061
tors. eta vs tors. theta energy: -121.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1239.202268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.202268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.202268 (E_RNA)
where:
Base-Base interactions energy: -841.462
where: short stacking energy: -374.143
Base-Backbone interact. energy: -2.496
local terms energy: -395.244557
where:
bonds (distance) C4'-P energy: -71.011
bonds (distance) P-C4' energy: -75.347
flat angles C4'-P-C4' energy: -90.298
flat angles P-C4'-P energy: -56.868
tors. eta vs tors. theta energy: -101.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1112.209430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.209430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.209430 (E_RNA)
where:
Base-Base interactions energy: -722.989
where: short stacking energy: -304.394
Base-Backbone interact. energy: -4.265
local terms energy: -384.955724
where:
bonds (distance) C4'-P energy: -69.561
bonds (distance) P-C4' energy: -83.165
flat angles C4'-P-C4' energy: -84.062
flat angles P-C4'-P energy: -56.970
tors. eta vs tors. theta energy: -91.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1058.384335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.384335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.384335 (E_RNA)
where:
Base-Base interactions energy: -707.193
where: short stacking energy: -299.822
Base-Backbone interact. energy: -0.156
local terms energy: -351.035039
where:
bonds (distance) C4'-P energy: -69.647
bonds (distance) P-C4' energy: -60.558
flat angles C4'-P-C4' energy: -81.572
flat angles P-C4'-P energy: -55.385
tors. eta vs tors. theta energy: -83.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1020.830468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.830468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.830468 (E_RNA)
where:
Base-Base interactions energy: -664.289
where: short stacking energy: -295.269
Base-Backbone interact. energy: -1.017
local terms energy: -355.524459
where:
bonds (distance) C4'-P energy: -71.485
bonds (distance) P-C4' energy: -62.989
flat angles C4'-P-C4' energy: -80.800
flat angles P-C4'-P energy: -58.175
tors. eta vs tors. theta energy: -82.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -815.923261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.923261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.923261 (E_RNA)
where:
Base-Base interactions energy: -519.634
where: short stacking energy: -252.589
Base-Backbone interact. energy: -1.465
local terms energy: -294.824190
where:
bonds (distance) C4'-P energy: -57.727
bonds (distance) P-C4' energy: -68.710
flat angles C4'-P-C4' energy: -68.972
flat angles P-C4'-P energy: -41.535
tors. eta vs tors. theta energy: -57.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -548.698593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.698593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.698593 (E_RNA)
where:
Base-Base interactions energy: -281.005
where: short stacking energy: -165.802
Base-Backbone interact. energy: -0.269
local terms energy: -267.425180
where:
bonds (distance) C4'-P energy: -77.362
bonds (distance) P-C4' energy: -63.712
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -39.958
tors. eta vs tors. theta energy: -23.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -629.255839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.255839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.255839 (E_RNA)
where:
Base-Base interactions energy: -363.829
where: short stacking energy: -168.559
Base-Backbone interact. energy: 0.389
local terms energy: -265.816636
where:
bonds (distance) C4'-P energy: -64.710
bonds (distance) P-C4' energy: -66.518
flat angles C4'-P-C4' energy: -65.834
flat angles P-C4'-P energy: -37.078
tors. eta vs tors. theta energy: -31.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -348.295330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.295330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.295330 (E_RNA)
where:
Base-Base interactions energy: -133.857
where: short stacking energy: -96.067
Base-Backbone interact. energy: -1.018
local terms energy: -213.420050
where:
bonds (distance) C4'-P energy: -51.614
bonds (distance) P-C4' energy: -67.913
flat angles C4'-P-C4' energy: -56.422
flat angles P-C4'-P energy: -34.595
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -320.743625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.743625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.743625 (E_RNA)
where:
Base-Base interactions energy: -108.696
where: short stacking energy: -90.443
Base-Backbone interact. energy: 1.507
local terms energy: -213.554212
where:
bonds (distance) C4'-P energy: -57.391
bonds (distance) P-C4' energy: -58.134
flat angles C4'-P-C4' energy: -62.684
flat angles P-C4'-P energy: -39.105
tors. eta vs tors. theta energy: 3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1343.425521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.425521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.425521 (E_RNA)
where:
Base-Base interactions energy: -897.975
where: short stacking energy: -388.359
Base-Backbone interact. energy: -0.822
local terms energy: -444.629177
where:
bonds (distance) C4'-P energy: -77.666
bonds (distance) P-C4' energy: -90.761
flat angles C4'-P-C4' energy: -91.448
flat angles P-C4'-P energy: -60.001
tors. eta vs tors. theta energy: -124.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1199.656470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.656470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.656470 (E_RNA)
where:
Base-Base interactions energy: -791.524
where: short stacking energy: -354.709
Base-Backbone interact. energy: -0.226
local terms energy: -407.906687
where:
bonds (distance) C4'-P energy: -80.948
bonds (distance) P-C4' energy: -81.459
flat angles C4'-P-C4' energy: -85.822
flat angles P-C4'-P energy: -55.833
tors. eta vs tors. theta energy: -103.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1121.430497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.430497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.430497 (E_RNA)
where:
Base-Base interactions energy: -745.648
where: short stacking energy: -335.746
Base-Backbone interact. energy: -0.177
local terms energy: -375.605793
where:
bonds (distance) C4'-P energy: -70.594
bonds (distance) P-C4' energy: -77.341
flat angles C4'-P-C4' energy: -83.714
flat angles P-C4'-P energy: -48.164
tors. eta vs tors. theta energy: -95.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1085.795411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.795411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.795411 (E_RNA)
where:
Base-Base interactions energy: -727.105
where: short stacking energy: -333.817
Base-Backbone interact. energy: -4.820
local terms energy: -353.869977
where:
bonds (distance) C4'-P energy: -50.815
bonds (distance) P-C4' energy: -65.960
flat angles C4'-P-C4' energy: -83.897
flat angles P-C4'-P energy: -55.181
tors. eta vs tors. theta energy: -98.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -989.468271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.468271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.468271 (E_RNA)
where:
Base-Base interactions energy: -637.295
where: short stacking energy: -274.056
Base-Backbone interact. energy: 0.017
local terms energy: -352.190349
where:
bonds (distance) C4'-P energy: -64.854
bonds (distance) P-C4' energy: -68.560
flat angles C4'-P-C4' energy: -84.154
flat angles P-C4'-P energy: -51.204
tors. eta vs tors. theta energy: -83.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -810.202831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.202831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.202831 (E_RNA)
where:
Base-Base interactions energy: -482.312
where: short stacking energy: -216.489
Base-Backbone interact. energy: -3.651
local terms energy: -324.239835
where:
bonds (distance) C4'-P energy: -71.293
bonds (distance) P-C4' energy: -79.722
flat angles C4'-P-C4' energy: -77.055
flat angles P-C4'-P energy: -54.323
tors. eta vs tors. theta energy: -41.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -507.257287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.257287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.257287 (E_RNA)
where:
Base-Base interactions energy: -240.561
where: short stacking energy: -144.637
Base-Backbone interact. energy: -1.562
local terms energy: -265.133455
where:
bonds (distance) C4'-P energy: -76.864
bonds (distance) P-C4' energy: -75.601
flat angles C4'-P-C4' energy: -71.923
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -589.163879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.163879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.163879 (E_RNA)
where:
Base-Base interactions energy: -314.341
where: short stacking energy: -143.842
Base-Backbone interact. energy: -0.701
local terms energy: -274.121503
where:
bonds (distance) C4'-P energy: -65.505
bonds (distance) P-C4' energy: -67.106
flat angles C4'-P-C4' energy: -67.866
flat angles P-C4'-P energy: -52.366
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -367.960701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.960701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.960701 (E_RNA)
where:
Base-Base interactions energy: -123.173
where: short stacking energy: -90.650
Base-Backbone interact. energy: -3.945
local terms energy: -240.843084
where:
bonds (distance) C4'-P energy: -75.340
bonds (distance) P-C4' energy: -83.564
flat angles C4'-P-C4' energy: -69.338
flat angles P-C4'-P energy: -37.086
tors. eta vs tors. theta energy: 24.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -313.828312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.828312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.828312 (E_RNA)
where:
Base-Base interactions energy: -107.542
where: short stacking energy: -97.843
Base-Backbone interact. energy: -1.293
local terms energy: -204.993021
where:
bonds (distance) C4'-P energy: -59.203
bonds (distance) P-C4' energy: -68.427
flat angles C4'-P-C4' energy: -57.263
flat angles P-C4'-P energy: -36.259
tors. eta vs tors. theta energy: 16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1337.426536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.426536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.426536 (E_RNA)
where:
Base-Base interactions energy: -908.836
where: short stacking energy: -391.255
Base-Backbone interact. energy: 2.609
local terms energy: -431.198873
where:
bonds (distance) C4'-P energy: -84.955
bonds (distance) P-C4' energy: -73.462
flat angles C4'-P-C4' energy: -93.213
flat angles P-C4'-P energy: -61.772
tors. eta vs tors. theta energy: -117.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1217.838884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.838884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.838884 (E_RNA)
where:
Base-Base interactions energy: -807.754
where: short stacking energy: -357.151
Base-Backbone interact. energy: 1.093
local terms energy: -411.178613
where:
bonds (distance) C4'-P energy: -74.117
bonds (distance) P-C4' energy: -83.511
flat angles C4'-P-C4' energy: -86.701
flat angles P-C4'-P energy: -58.702
tors. eta vs tors. theta energy: -108.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1116.820590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.820590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.820590 (E_RNA)
where:
Base-Base interactions energy: -750.238
where: short stacking energy: -329.320
Base-Backbone interact. energy: 0.367
local terms energy: -366.949387
where:
bonds (distance) C4'-P energy: -71.518
bonds (distance) P-C4' energy: -70.882
flat angles C4'-P-C4' energy: -74.454
flat angles P-C4'-P energy: -53.590
tors. eta vs tors. theta energy: -96.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1060.447838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.447838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.447838 (E_RNA)
where:
Base-Base interactions energy: -696.680
where: short stacking energy: -295.748
Base-Backbone interact. energy: -2.975
local terms energy: -360.792649
where:
bonds (distance) C4'-P energy: -75.588
bonds (distance) P-C4' energy: -74.786
flat angles C4'-P-C4' energy: -77.418
flat angles P-C4'-P energy: -49.105
tors. eta vs tors. theta energy: -83.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -972.495515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.495515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.495515 (E_RNA)
where:
Base-Base interactions energy: -643.907
where: short stacking energy: -270.784
Base-Backbone interact. energy: 1.782
local terms energy: -330.370221
where:
bonds (distance) C4'-P energy: -66.054
bonds (distance) P-C4' energy: -79.547
flat angles C4'-P-C4' energy: -71.770
flat angles P-C4'-P energy: -45.328
tors. eta vs tors. theta energy: -67.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -790.518844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.518844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.518844 (E_RNA)
where:
Base-Base interactions energy: -507.820
where: short stacking energy: -196.300
Base-Backbone interact. energy: -2.843
local terms energy: -279.855183
where:
bonds (distance) C4'-P energy: -69.125
bonds (distance) P-C4' energy: -66.371
flat angles C4'-P-C4' energy: -69.139
flat angles P-C4'-P energy: -38.488
tors. eta vs tors. theta energy: -36.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -631.148977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.148977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.148977 (E_RNA)
where:
Base-Base interactions energy: -373.902
where: short stacking energy: -164.842
Base-Backbone interact. energy: -0.823
local terms energy: -256.423765
where:
bonds (distance) C4'-P energy: -74.585
bonds (distance) P-C4' energy: -66.993
flat angles C4'-P-C4' energy: -70.265
flat angles P-C4'-P energy: -23.682
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -466.893602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.893602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.893602 (E_RNA)
where:
Base-Base interactions energy: -220.357
where: short stacking energy: -130.850
Base-Backbone interact. energy: -0.328
local terms energy: -246.208175
where:
bonds (distance) C4'-P energy: -62.776
bonds (distance) P-C4' energy: -83.239
flat angles C4'-P-C4' energy: -64.645
flat angles P-C4'-P energy: -32.781
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -352.469278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.469278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.469278 (E_RNA)
where:
Base-Base interactions energy: -129.583
where: short stacking energy: -94.947
Base-Backbone interact. energy: -2.194
local terms energy: -220.692485
where:
bonds (distance) C4'-P energy: -65.592
bonds (distance) P-C4' energy: -60.998
flat angles C4'-P-C4' energy: -60.135
flat angles P-C4'-P energy: -42.320
tors. eta vs tors. theta energy: 8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -329.451508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.451508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.451508 (E_RNA)
where:
Base-Base interactions energy: -114.361
where: short stacking energy: -82.079
Base-Backbone interact. energy: 0.625
local terms energy: -215.715675
where:
bonds (distance) C4'-P energy: -55.680
bonds (distance) P-C4' energy: -67.660
flat angles C4'-P-C4' energy: -54.804
flat angles P-C4'-P energy: -43.023
tors. eta vs tors. theta energy: 5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1360.023376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.023376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.023376 (E_RNA)
where:
Base-Base interactions energy: -938.735
where: short stacking energy: -413.491
Base-Backbone interact. energy: -0.587
local terms energy: -420.701297
where:
bonds (distance) C4'-P energy: -65.728
bonds (distance) P-C4' energy: -80.163
flat angles C4'-P-C4' energy: -95.773
flat angles P-C4'-P energy: -61.312
tors. eta vs tors. theta energy: -117.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1224.331874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.331874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.331874 (E_RNA)
where:
Base-Base interactions energy: -812.088
where: short stacking energy: -374.079
Base-Backbone interact. energy: -2.327
local terms energy: -409.916826
where:
bonds (distance) C4'-P energy: -75.797
bonds (distance) P-C4' energy: -68.352
flat angles C4'-P-C4' energy: -94.661
flat angles P-C4'-P energy: -66.933
tors. eta vs tors. theta energy: -104.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1120.219222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.219222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.219222 (E_RNA)
where:
Base-Base interactions energy: -762.078
where: short stacking energy: -312.786
Base-Backbone interact. energy: -1.609
local terms energy: -356.532981
where:
bonds (distance) C4'-P energy: -63.124
bonds (distance) P-C4' energy: -75.664
flat angles C4'-P-C4' energy: -75.206
flat angles P-C4'-P energy: -53.228
tors. eta vs tors. theta energy: -89.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1103.006818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.006818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.006818 (E_RNA)
where:
Base-Base interactions energy: -726.946
where: short stacking energy: -325.789
Base-Backbone interact. energy: -4.989
local terms energy: -371.072157
where:
bonds (distance) C4'-P energy: -68.515
bonds (distance) P-C4' energy: -76.956
flat angles C4'-P-C4' energy: -79.266
flat angles P-C4'-P energy: -52.217
tors. eta vs tors. theta energy: -94.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -953.974226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.974226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.974226 (E_RNA)
where:
Base-Base interactions energy: -619.128
where: short stacking energy: -262.720
Base-Backbone interact. energy: 1.339
local terms energy: -336.184594
where:
bonds (distance) C4'-P energy: -69.555
bonds (distance) P-C4' energy: -63.117
flat angles C4'-P-C4' energy: -82.468
flat angles P-C4'-P energy: -49.621
tors. eta vs tors. theta energy: -71.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -792.127250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.127250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.127250 (E_RNA)
where:
Base-Base interactions energy: -476.295
where: short stacking energy: -234.012
Base-Backbone interact. energy: -0.773
local terms energy: -315.059108
where:
bonds (distance) C4'-P energy: -76.064
bonds (distance) P-C4' energy: -79.122
flat angles C4'-P-C4' energy: -79.038
flat angles P-C4'-P energy: -40.882
tors. eta vs tors. theta energy: -39.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -629.958510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.958510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.958510 (E_RNA)
where:
Base-Base interactions energy: -352.972
where: short stacking energy: -180.853
Base-Backbone interact. energy: -1.230
local terms energy: -275.756519
where:
bonds (distance) C4'-P energy: -67.574
bonds (distance) P-C4' energy: -66.777
flat angles C4'-P-C4' energy: -62.994
flat angles P-C4'-P energy: -47.142
tors. eta vs tors. theta energy: -31.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -473.327268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.327268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.327268 (E_RNA)
where:
Base-Base interactions energy: -207.627
where: short stacking energy: -126.993
Base-Backbone interact. energy: -0.769
local terms energy: -264.931522
where:
bonds (distance) C4'-P energy: -65.733
bonds (distance) P-C4' energy: -70.328
flat angles C4'-P-C4' energy: -73.956
flat angles P-C4'-P energy: -39.506
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -369.890167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.890167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.890167 (E_RNA)
where:
Base-Base interactions energy: -173.117
where: short stacking energy: -109.555
Base-Backbone interact. energy: -1.490
local terms energy: -195.282587
where:
bonds (distance) C4'-P energy: -51.368
bonds (distance) P-C4' energy: -57.428
flat angles C4'-P-C4' energy: -53.687
flat angles P-C4'-P energy: -34.764
tors. eta vs tors. theta energy: 1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -313.751567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.751567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.751567 (E_RNA)
where:
Base-Base interactions energy: -115.017
where: short stacking energy: -66.104
Base-Backbone interact. energy: -1.856
local terms energy: -196.879505
where:
bonds (distance) C4'-P energy: -60.239
bonds (distance) P-C4' energy: -68.684
flat angles C4'-P-C4' energy: -60.834
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: 12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1348.558128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.558128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.558128 (E_RNA)
where:
Base-Base interactions energy: -916.713
where: short stacking energy: -406.477
Base-Backbone interact. energy: 1.341
local terms energy: -433.185969
where:
bonds (distance) C4'-P energy: -77.404
bonds (distance) P-C4' energy: -80.355
flat angles C4'-P-C4' energy: -91.180
flat angles P-C4'-P energy: -55.005
tors. eta vs tors. theta energy: -129.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1189.452240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.452240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.452240 (E_RNA)
where:
Base-Base interactions energy: -773.979
where: short stacking energy: -351.010
Base-Backbone interact. energy: -2.669
local terms energy: -412.803773
where:
bonds (distance) C4'-P energy: -78.113
bonds (distance) P-C4' energy: -76.295
flat angles C4'-P-C4' energy: -86.947
flat angles P-C4'-P energy: -64.521
tors. eta vs tors. theta energy: -106.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1125.261515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.261515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.261515 (E_RNA)
where:
Base-Base interactions energy: -746.825
where: short stacking energy: -327.403
Base-Backbone interact. energy: -1.201
local terms energy: -377.235260
where:
bonds (distance) C4'-P energy: -76.691
bonds (distance) P-C4' energy: -70.735
flat angles C4'-P-C4' energy: -76.154
flat angles P-C4'-P energy: -55.106
tors. eta vs tors. theta energy: -98.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1081.517450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.517450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.517450 (E_RNA)
where:
Base-Base interactions energy: -729.036
where: short stacking energy: -297.818
Base-Backbone interact. energy: -2.237
local terms energy: -350.245159
where:
bonds (distance) C4'-P energy: -70.103
bonds (distance) P-C4' energy: -83.292
flat angles C4'-P-C4' energy: -74.612
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: -80.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1001.032619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.032619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.032619 (E_RNA)
where:
Base-Base interactions energy: -636.452
where: short stacking energy: -261.184
Base-Backbone interact. energy: -0.720
local terms energy: -363.860911
where:
bonds (distance) C4'-P energy: -69.828
bonds (distance) P-C4' energy: -83.224
flat angles C4'-P-C4' energy: -80.517
flat angles P-C4'-P energy: -50.022
tors. eta vs tors. theta energy: -80.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -794.322515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.322515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.322515 (E_RNA)
where:
Base-Base interactions energy: -494.726
where: short stacking energy: -235.071
Base-Backbone interact. energy: 3.116
local terms energy: -302.711881
where:
bonds (distance) C4'-P energy: -75.170
bonds (distance) P-C4' energy: -68.493
flat angles C4'-P-C4' energy: -68.545
flat angles P-C4'-P energy: -42.875
tors. eta vs tors. theta energy: -47.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -606.701620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.701620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.701620 (E_RNA)
where:
Base-Base interactions energy: -354.022
where: short stacking energy: -155.950
Base-Backbone interact. energy: 1.265
local terms energy: -253.944580
where:
bonds (distance) C4'-P energy: -65.920
bonds (distance) P-C4' energy: -72.999
flat angles C4'-P-C4' energy: -57.427
flat angles P-C4'-P energy: -31.965
tors. eta vs tors. theta energy: -25.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -493.912144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.912144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.912144 (E_RNA)
where:
Base-Base interactions energy: -225.719
where: short stacking energy: -132.874
Base-Backbone interact. energy: 0.521
local terms energy: -268.714068
where:
bonds (distance) C4'-P energy: -69.496
bonds (distance) P-C4' energy: -77.323
flat angles C4'-P-C4' energy: -72.789
flat angles P-C4'-P energy: -33.848
tors. eta vs tors. theta energy: -15.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -353.855779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.855779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.855779 (E_RNA)
where:
Base-Base interactions energy: -132.497
where: short stacking energy: -106.259
Base-Backbone interact. energy: 2.766
local terms energy: -224.125126
where:
bonds (distance) C4'-P energy: -56.539
bonds (distance) P-C4' energy: -62.001
flat angles C4'-P-C4' energy: -63.964
flat angles P-C4'-P energy: -37.756
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -326.917761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.917761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.917761 (E_RNA)
where:
Base-Base interactions energy: -126.600
where: short stacking energy: -108.920
Base-Backbone interact. energy: -1.327
local terms energy: -198.990652
where:
bonds (distance) C4'-P energy: -73.483
bonds (distance) P-C4' energy: -56.394
flat angles C4'-P-C4' energy: -55.465
flat angles P-C4'-P energy: -25.056
tors. eta vs tors. theta energy: 11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1331.741159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.741159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.741159 (E_RNA)
where:
Base-Base interactions energy: -920.204
where: short stacking energy: -386.028
Base-Backbone interact. energy: -1.154
local terms energy: -410.383115
where:
bonds (distance) C4'-P energy: -69.537
bonds (distance) P-C4' energy: -78.440
flat angles C4'-P-C4' energy: -91.950
flat angles P-C4'-P energy: -57.848
tors. eta vs tors. theta energy: -112.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1186.870958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.870958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.870958 (E_RNA)
where:
Base-Base interactions energy: -780.599
where: short stacking energy: -347.040
Base-Backbone interact. energy: -0.195
local terms energy: -406.077430
where:
bonds (distance) C4'-P energy: -76.318
bonds (distance) P-C4' energy: -79.958
flat angles C4'-P-C4' energy: -83.464
flat angles P-C4'-P energy: -68.852
tors. eta vs tors. theta energy: -97.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1128.248403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.248403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.248403 (E_RNA)
where:
Base-Base interactions energy: -737.795
where: short stacking energy: -326.579
Base-Backbone interact. energy: -3.649
local terms energy: -386.804452
where:
bonds (distance) C4'-P energy: -72.836
bonds (distance) P-C4' energy: -84.969
flat angles C4'-P-C4' energy: -79.859
flat angles P-C4'-P energy: -57.636
tors. eta vs tors. theta energy: -91.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1026.186097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.186097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.186097 (E_RNA)
where:
Base-Base interactions energy: -666.508
where: short stacking energy: -281.576
Base-Backbone interact. energy: -0.570
local terms energy: -359.108619
where:
bonds (distance) C4'-P energy: -81.446
bonds (distance) P-C4' energy: -74.036
flat angles C4'-P-C4' energy: -79.120
flat angles P-C4'-P energy: -48.958
tors. eta vs tors. theta energy: -75.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1068.097967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.097967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.097967 (E_RNA)
where:
Base-Base interactions energy: -736.293
where: short stacking energy: -309.511
Base-Backbone interact. energy: 3.693
local terms energy: -335.497783
where:
bonds (distance) C4'-P energy: -66.652
bonds (distance) P-C4' energy: -69.971
flat angles C4'-P-C4' energy: -70.432
flat angles P-C4'-P energy: -43.727
tors. eta vs tors. theta energy: -84.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -794.409311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.409311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.409311 (E_RNA)
where:
Base-Base interactions energy: -484.787
where: short stacking energy: -229.194
Base-Backbone interact. energy: -0.273
local terms energy: -309.348717
where:
bonds (distance) C4'-P energy: -69.631
bonds (distance) P-C4' energy: -75.131
flat angles C4'-P-C4' energy: -70.147
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -50.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -659.157046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.157046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.157046 (E_RNA)
where:
Base-Base interactions energy: -393.013
where: short stacking energy: -167.406
Base-Backbone interact. energy: 5.908
local terms energy: -272.051267
where:
bonds (distance) C4'-P energy: -89.722
bonds (distance) P-C4' energy: -67.027
flat angles C4'-P-C4' energy: -59.203
flat angles P-C4'-P energy: -37.164
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -468.477449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.477449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.477449 (E_RNA)
where:
Base-Base interactions energy: -227.825
where: short stacking energy: -138.614
Base-Backbone interact. energy: -1.440
local terms energy: -239.212406
where:
bonds (distance) C4'-P energy: -66.643
bonds (distance) P-C4' energy: -72.628
flat angles C4'-P-C4' energy: -51.326
flat angles P-C4'-P energy: -33.216
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -344.562056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.562056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.562056 (E_RNA)
where:
Base-Base interactions energy: -128.870
where: short stacking energy: -93.611
Base-Backbone interact. energy: -2.689
local terms energy: -213.002825
where:
bonds (distance) C4'-P energy: -54.739
bonds (distance) P-C4' energy: -77.043
flat angles C4'-P-C4' energy: -64.100
flat angles P-C4'-P energy: -32.000
tors. eta vs tors. theta energy: 14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -366.554514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.554514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.554514 (E_RNA)
where:
Base-Base interactions energy: -145.827
where: short stacking energy: -99.059
Base-Backbone interact. energy: -2.136
local terms energy: -218.591914
where:
bonds (distance) C4'-P energy: -71.438
bonds (distance) P-C4' energy: -64.352
flat angles C4'-P-C4' energy: -55.422
flat angles P-C4'-P energy: -35.084
tors. eta vs tors. theta energy: 7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1322.586894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.586894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.586894 (E_RNA)
where:
Base-Base interactions energy: -890.896
where: short stacking energy: -388.156
Base-Backbone interact. energy: -1.368
local terms energy: -430.322267
where:
bonds (distance) C4'-P energy: -82.095
bonds (distance) P-C4' energy: -81.182
flat angles C4'-P-C4' energy: -93.087
flat angles P-C4'-P energy: -58.963
tors. eta vs tors. theta energy: -114.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1234.577005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.577005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.577005 (E_RNA)
where:
Base-Base interactions energy: -824.090
where: short stacking energy: -359.728
Base-Backbone interact. energy: -2.112
local terms energy: -408.374535
where:
bonds (distance) C4'-P energy: -78.615
bonds (distance) P-C4' energy: -76.902
flat angles C4'-P-C4' energy: -91.748
flat angles P-C4'-P energy: -55.342
tors. eta vs tors. theta energy: -105.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1122.804576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.804576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.804576 (E_RNA)
where:
Base-Base interactions energy: -709.426
where: short stacking energy: -312.291
Base-Backbone interact. energy: -5.631
local terms energy: -407.748085
where:
bonds (distance) C4'-P energy: -84.767
bonds (distance) P-C4' energy: -80.486
flat angles C4'-P-C4' energy: -93.604
flat angles P-C4'-P energy: -60.885
tors. eta vs tors. theta energy: -88.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1031.347806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.347806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.347806 (E_RNA)
where:
Base-Base interactions energy: -670.674
where: short stacking energy: -295.087
Base-Backbone interact. energy: -1.030
local terms energy: -359.643769
where:
bonds (distance) C4'-P energy: -69.084
bonds (distance) P-C4' energy: -80.224
flat angles C4'-P-C4' energy: -75.358
flat angles P-C4'-P energy: -51.063
tors. eta vs tors. theta energy: -83.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1066.155457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.155457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.155457 (E_RNA)
where:
Base-Base interactions energy: -697.161
where: short stacking energy: -299.677
Base-Backbone interact. energy: -2.927
local terms energy: -366.067536
where:
bonds (distance) C4'-P energy: -78.700
bonds (distance) P-C4' energy: -67.219
flat angles C4'-P-C4' energy: -77.677
flat angles P-C4'-P energy: -55.114
tors. eta vs tors. theta energy: -87.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -804.943266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.943266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.943266 (E_RNA)
where:
Base-Base interactions energy: -495.046
where: short stacking energy: -235.892
Base-Backbone interact. energy: 2.335
local terms energy: -312.232414
where:
bonds (distance) C4'-P energy: -65.454
bonds (distance) P-C4' energy: -74.303
flat angles C4'-P-C4' energy: -70.475
flat angles P-C4'-P energy: -51.981
tors. eta vs tors. theta energy: -50.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -615.479963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.479963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.479963 (E_RNA)
where:
Base-Base interactions energy: -336.227
where: short stacking energy: -158.796
Base-Backbone interact. energy: -3.294
local terms energy: -275.959131
where:
bonds (distance) C4'-P energy: -66.113
bonds (distance) P-C4' energy: -69.965
flat angles C4'-P-C4' energy: -69.652
flat angles P-C4'-P energy: -54.460
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -488.749921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.749921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.749921 (E_RNA)
where:
Base-Base interactions energy: -225.541
where: short stacking energy: -145.116
Base-Backbone interact. energy: -0.555
local terms energy: -262.653336
where:
bonds (distance) C4'-P energy: -76.026
bonds (distance) P-C4' energy: -77.441
flat angles C4'-P-C4' energy: -62.423
flat angles P-C4'-P energy: -34.376
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -461.726097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.726097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.726097 (E_RNA)
where:
Base-Base interactions energy: -236.806
where: short stacking energy: -114.667
Base-Backbone interact. energy: 0.352
local terms energy: -225.272338
where:
bonds (distance) C4'-P energy: -68.150
bonds (distance) P-C4' energy: -62.520
flat angles C4'-P-C4' energy: -75.409
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -301.721266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.721266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.721266 (E_RNA)
where:
Base-Base interactions energy: -117.122
where: short stacking energy: -99.573
Base-Backbone interact. energy: -1.512
local terms energy: -183.087732
where:
bonds (distance) C4'-P energy: -59.108
bonds (distance) P-C4' energy: -67.802
flat angles C4'-P-C4' energy: -51.268
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: 13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1328.570789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.570789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.570789 (E_RNA)
where:
Base-Base interactions energy: -904.635
where: short stacking energy: -382.712
Base-Backbone interact. energy: -1.053
local terms energy: -422.882231
where:
bonds (distance) C4'-P energy: -77.201
bonds (distance) P-C4' energy: -85.381
flat angles C4'-P-C4' energy: -89.835
flat angles P-C4'-P energy: -58.593
tors. eta vs tors. theta energy: -111.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1249.376109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.376109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.376109 (E_RNA)
where:
Base-Base interactions energy: -848.477
where: short stacking energy: -358.751
Base-Backbone interact. energy: 1.564
local terms energy: -402.462900
where:
bonds (distance) C4'-P energy: -62.731
bonds (distance) P-C4' energy: -90.325
flat angles C4'-P-C4' energy: -84.056
flat angles P-C4'-P energy: -66.613
tors. eta vs tors. theta energy: -98.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1151.894290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.894290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.894290 (E_RNA)
where:
Base-Base interactions energy: -771.400
where: short stacking energy: -313.421
Base-Backbone interact. energy: -2.531
local terms energy: -377.962513
where:
bonds (distance) C4'-P energy: -72.570
bonds (distance) P-C4' energy: -86.604
flat angles C4'-P-C4' energy: -75.189
flat angles P-C4'-P energy: -55.688
tors. eta vs tors. theta energy: -87.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1065.141986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.141986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.141986 (E_RNA)
where:
Base-Base interactions energy: -702.405
where: short stacking energy: -313.314
Base-Backbone interact. energy: 2.955
local terms energy: -365.692288
where:
bonds (distance) C4'-P energy: -77.340
bonds (distance) P-C4' energy: -80.201
flat angles C4'-P-C4' energy: -75.602
flat angles P-C4'-P energy: -53.261
tors. eta vs tors. theta energy: -79.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -998.960633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.960633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.960633 (E_RNA)
where:
Base-Base interactions energy: -661.775
where: short stacking energy: -267.395
Base-Backbone interact. energy: -1.635
local terms energy: -335.550888
where:
bonds (distance) C4'-P energy: -66.294
bonds (distance) P-C4' energy: -71.843
flat angles C4'-P-C4' energy: -76.561
flat angles P-C4'-P energy: -45.357
tors. eta vs tors. theta energy: -75.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -831.077686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.077686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.077686 (E_RNA)
where:
Base-Base interactions energy: -509.846
where: short stacking energy: -233.002
Base-Backbone interact. energy: 0.040
local terms energy: -321.271095
where:
bonds (distance) C4'-P energy: -76.544
bonds (distance) P-C4' energy: -71.248
flat angles C4'-P-C4' energy: -68.252
flat angles P-C4'-P energy: -50.091
tors. eta vs tors. theta energy: -55.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -533.896875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.896875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.896875 (E_RNA)
where:
Base-Base interactions energy: -288.970
where: short stacking energy: -140.429
Base-Backbone interact. energy: 0.421
local terms energy: -245.348377
where:
bonds (distance) C4'-P energy: -57.701
bonds (distance) P-C4' energy: -75.655
flat angles C4'-P-C4' energy: -57.548
flat angles P-C4'-P energy: -43.988
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -520.095151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.095151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.095151 (E_RNA)
where:
Base-Base interactions energy: -270.074
where: short stacking energy: -150.991
Base-Backbone interact. energy: 3.459
local terms energy: -253.481081
where:
bonds (distance) C4'-P energy: -72.146
bonds (distance) P-C4' energy: -76.923
flat angles C4'-P-C4' energy: -58.250
flat angles P-C4'-P energy: -32.366
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -472.469949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.469949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.469949 (E_RNA)
where:
Base-Base interactions energy: -241.874
where: short stacking energy: -145.077
Base-Backbone interact. energy: 1.458
local terms energy: -232.054340
where:
bonds (distance) C4'-P energy: -64.091
bonds (distance) P-C4' energy: -55.045
flat angles C4'-P-C4' energy: -69.241
flat angles P-C4'-P energy: -33.183
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -338.894239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.894239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.894239 (E_RNA)
where:
Base-Base interactions energy: -106.868
where: short stacking energy: -93.379
Base-Backbone interact. energy: -0.712
local terms energy: -231.314760
where:
bonds (distance) C4'-P energy: -71.165
bonds (distance) P-C4' energy: -60.820
flat angles C4'-P-C4' energy: -70.492
flat angles P-C4'-P energy: -38.854
tors. eta vs tors. theta energy: 10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1314.709942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.709942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.709942 (E_RNA)
where:
Base-Base interactions energy: -904.663
where: short stacking energy: -372.055
Base-Backbone interact. energy: -0.922
local terms energy: -409.124715
where:
bonds (distance) C4'-P energy: -81.157
bonds (distance) P-C4' energy: -76.279
flat angles C4'-P-C4' energy: -76.265
flat angles P-C4'-P energy: -57.075
tors. eta vs tors. theta energy: -118.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1232.718795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.718795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.718795 (E_RNA)
where:
Base-Base interactions energy: -809.519
where: short stacking energy: -360.682
Base-Backbone interact. energy: -2.869
local terms energy: -420.331079
where:
bonds (distance) C4'-P energy: -71.161
bonds (distance) P-C4' energy: -82.959
flat angles C4'-P-C4' energy: -90.968
flat angles P-C4'-P energy: -69.021
tors. eta vs tors. theta energy: -106.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1176.480766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.480766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.480766 (E_RNA)
where:
Base-Base interactions energy: -790.908
where: short stacking energy: -338.208
Base-Backbone interact. energy: -2.619
local terms energy: -382.954019
where:
bonds (distance) C4'-P energy: -76.956
bonds (distance) P-C4' energy: -73.393
flat angles C4'-P-C4' energy: -88.168
flat angles P-C4'-P energy: -51.327
tors. eta vs tors. theta energy: -93.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -998.916556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.916556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.916556 (E_RNA)
where:
Base-Base interactions energy: -653.112
where: short stacking energy: -293.598
Base-Backbone interact. energy: -2.986
local terms energy: -342.819359
where:
bonds (distance) C4'-P energy: -52.560
bonds (distance) P-C4' energy: -75.407
flat angles C4'-P-C4' energy: -81.798
flat angles P-C4'-P energy: -52.212
tors. eta vs tors. theta energy: -80.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -972.202500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.202500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.202500 (E_RNA)
where:
Base-Base interactions energy: -642.326
where: short stacking energy: -281.895
Base-Backbone interact. energy: -3.783
local terms energy: -326.093034
where:
bonds (distance) C4'-P energy: -82.675
bonds (distance) P-C4' energy: -52.984
flat angles C4'-P-C4' energy: -66.339
flat angles P-C4'-P energy: -50.641
tors. eta vs tors. theta energy: -73.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -778.021465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.021465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.021465 (E_RNA)
where:
Base-Base interactions energy: -488.292
where: short stacking energy: -218.531
Base-Backbone interact. energy: 1.227
local terms energy: -290.956062
where:
bonds (distance) C4'-P energy: -66.963
bonds (distance) P-C4' energy: -66.881
flat angles C4'-P-C4' energy: -75.698
flat angles P-C4'-P energy: -45.182
tors. eta vs tors. theta energy: -36.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -609.479871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.479871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.479871 (E_RNA)
where:
Base-Base interactions energy: -340.182
where: short stacking energy: -161.483
Base-Backbone interact. energy: -1.194
local terms energy: -268.103397
where:
bonds (distance) C4'-P energy: -67.467
bonds (distance) P-C4' energy: -69.920
flat angles C4'-P-C4' energy: -73.156
flat angles P-C4'-P energy: -35.514
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -428.356403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.356403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.356403 (E_RNA)
where:
Base-Base interactions energy: -185.987
where: short stacking energy: -111.590
Base-Backbone interact. energy: -3.926
local terms energy: -238.443592
where:
bonds (distance) C4'-P energy: -60.645
bonds (distance) P-C4' energy: -78.573
flat angles C4'-P-C4' energy: -62.641
flat angles P-C4'-P energy: -30.606
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -482.511990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.511990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.511990 (E_RNA)
where:
Base-Base interactions energy: -225.110
where: short stacking energy: -140.760
Base-Backbone interact. energy: -1.378
local terms energy: -256.023919
where:
bonds (distance) C4'-P energy: -49.984
bonds (distance) P-C4' energy: -80.643
flat angles C4'-P-C4' energy: -66.010
flat angles P-C4'-P energy: -41.332
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -342.080848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.080848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.080848 (E_RNA)
where:
Base-Base interactions energy: -118.625
where: short stacking energy: -94.578
Base-Backbone interact. energy: 0.620
local terms energy: -224.075357
where:
bonds (distance) C4'-P energy: -69.126
bonds (distance) P-C4' energy: -65.038
flat angles C4'-P-C4' energy: -62.842
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: 7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1324.028064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.028064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.028064 (E_RNA)
where:
Base-Base interactions energy: -896.484
where: short stacking energy: -398.133
Base-Backbone interact. energy: -0.077
local terms energy: -427.467860
where:
bonds (distance) C4'-P energy: -74.806
bonds (distance) P-C4' energy: -82.445
flat angles C4'-P-C4' energy: -90.643
flat angles P-C4'-P energy: -62.461
tors. eta vs tors. theta energy: -117.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1217.864990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.864990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.864990 (E_RNA)
where:
Base-Base interactions energy: -840.411
where: short stacking energy: -367.627
Base-Backbone interact. energy: 0.960
local terms energy: -378.414380
where:
bonds (distance) C4'-P energy: -75.033
bonds (distance) P-C4' energy: -64.603
flat angles C4'-P-C4' energy: -84.551
flat angles P-C4'-P energy: -50.923
tors. eta vs tors. theta energy: -103.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1222.118010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.118010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.118010 (E_RNA)
where:
Base-Base interactions energy: -830.262
where: short stacking energy: -359.767
Base-Backbone interact. energy: -1.427
local terms energy: -390.429215
where:
bonds (distance) C4'-P energy: -81.307
bonds (distance) P-C4' energy: -75.858
flat angles C4'-P-C4' energy: -75.173
flat angles P-C4'-P energy: -58.496
tors. eta vs tors. theta energy: -99.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1053.650555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.650555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.650555 (E_RNA)
where:
Base-Base interactions energy: -673.902
where: short stacking energy: -285.722
Base-Backbone interact. energy: 0.015
local terms energy: -379.763485
where:
bonds (distance) C4'-P energy: -78.511
bonds (distance) P-C4' energy: -81.146
flat angles C4'-P-C4' energy: -81.722
flat angles P-C4'-P energy: -48.429
tors. eta vs tors. theta energy: -89.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -982.222050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.222050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.222050 (E_RNA)
where:
Base-Base interactions energy: -639.145
where: short stacking energy: -283.893
Base-Backbone interact. energy: -2.766
local terms energy: -340.310389
where:
bonds (distance) C4'-P energy: -70.530
bonds (distance) P-C4' energy: -76.847
flat angles C4'-P-C4' energy: -84.998
flat angles P-C4'-P energy: -36.211
tors. eta vs tors. theta energy: -71.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -759.659273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.659273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.659273 (E_RNA)
where:
Base-Base interactions energy: -454.348
where: short stacking energy: -214.546
Base-Backbone interact. energy: -0.914
local terms energy: -304.396770
where:
bonds (distance) C4'-P energy: -60.429
bonds (distance) P-C4' energy: -81.136
flat angles C4'-P-C4' energy: -63.225
flat angles P-C4'-P energy: -62.680
tors. eta vs tors. theta energy: -36.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -613.847666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.847666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.847666 (E_RNA)
where:
Base-Base interactions energy: -337.097
where: short stacking energy: -179.772
Base-Backbone interact. energy: 5.694
local terms energy: -282.444847
where:
bonds (distance) C4'-P energy: -62.589
bonds (distance) P-C4' energy: -67.204
flat angles C4'-P-C4' energy: -82.563
flat angles P-C4'-P energy: -34.377
tors. eta vs tors. theta energy: -35.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -488.087319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.087319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.087319 (E_RNA)
where:
Base-Base interactions energy: -223.738
where: short stacking energy: -138.730
Base-Backbone interact. energy: -2.056
local terms energy: -262.293151
where:
bonds (distance) C4'-P energy: -57.863
bonds (distance) P-C4' energy: -79.538
flat angles C4'-P-C4' energy: -71.503
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -455.710163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.710163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.710163 (E_RNA)
where:
Base-Base interactions energy: -198.961
where: short stacking energy: -124.523
Base-Backbone interact. energy: -1.908
local terms energy: -254.840289
where:
bonds (distance) C4'-P energy: -72.169
bonds (distance) P-C4' energy: -72.068
flat angles C4'-P-C4' energy: -51.972
flat angles P-C4'-P energy: -44.189
tors. eta vs tors. theta energy: -14.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -316.397989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.397989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.397989 (E_RNA)
where:
Base-Base interactions energy: -124.749
where: short stacking energy: -115.647
Base-Backbone interact. energy: 0.495
local terms energy: -192.144073
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -67.188
flat angles C4'-P-C4' energy: -57.895
flat angles P-C4'-P energy: -35.931
tors. eta vs tors. theta energy: 2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1285.281599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.281599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.281599 (E_RNA)
where:
Base-Base interactions energy: -864.842
where: short stacking energy: -357.666
Base-Backbone interact. energy: -1.814
local terms energy: -418.626092
where:
bonds (distance) C4'-P energy: -84.945
bonds (distance) P-C4' energy: -75.590
flat angles C4'-P-C4' energy: -89.983
flat angles P-C4'-P energy: -56.019
tors. eta vs tors. theta energy: -112.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1218.700007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.700007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.700007 (E_RNA)
where:
Base-Base interactions energy: -825.375
where: short stacking energy: -341.304
Base-Backbone interact. energy: 0.749
local terms energy: -394.073424
where:
bonds (distance) C4'-P energy: -78.388
bonds (distance) P-C4' energy: -78.560
flat angles C4'-P-C4' energy: -81.017
flat angles P-C4'-P energy: -63.101
tors. eta vs tors. theta energy: -93.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1198.054978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.054978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.054978 (E_RNA)
where:
Base-Base interactions energy: -797.418
where: short stacking energy: -332.304
Base-Backbone interact. energy: -1.856
local terms energy: -398.780838
where:
bonds (distance) C4'-P energy: -84.892
bonds (distance) P-C4' energy: -77.589
flat angles C4'-P-C4' energy: -90.283
flat angles P-C4'-P energy: -50.139
tors. eta vs tors. theta energy: -95.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -999.128776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.128776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.128776 (E_RNA)
where:
Base-Base interactions energy: -669.421
where: short stacking energy: -294.428
Base-Backbone interact. energy: 4.767
local terms energy: -334.474775
where:
bonds (distance) C4'-P energy: -69.816
bonds (distance) P-C4' energy: -68.202
flat angles C4'-P-C4' energy: -73.113
flat angles P-C4'-P energy: -47.167
tors. eta vs tors. theta energy: -76.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -950.559937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.559937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.559937 (E_RNA)
where:
Base-Base interactions energy: -609.687
where: short stacking energy: -269.444
Base-Backbone interact. energy: -1.331
local terms energy: -339.541931
where:
bonds (distance) C4'-P energy: -73.628
bonds (distance) P-C4' energy: -76.137
flat angles C4'-P-C4' energy: -79.302
flat angles P-C4'-P energy: -49.538
tors. eta vs tors. theta energy: -60.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -830.522828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.522828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.522828 (E_RNA)
where:
Base-Base interactions energy: -523.962
where: short stacking energy: -220.993
Base-Backbone interact. energy: 2.012
local terms energy: -308.573452
where:
bonds (distance) C4'-P energy: -65.290
bonds (distance) P-C4' energy: -76.055
flat angles C4'-P-C4' energy: -70.543
flat angles P-C4'-P energy: -42.923
tors. eta vs tors. theta energy: -53.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -624.644701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.644701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.644701 (E_RNA)
where:
Base-Base interactions energy: -329.545
where: short stacking energy: -179.224
Base-Backbone interact. energy: -1.144
local terms energy: -293.955312
where:
bonds (distance) C4'-P energy: -78.393
bonds (distance) P-C4' energy: -64.874
flat angles C4'-P-C4' energy: -65.596
flat angles P-C4'-P energy: -52.249
tors. eta vs tors. theta energy: -32.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -458.110996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.110996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.110996 (E_RNA)
where:
Base-Base interactions energy: -210.746
where: short stacking energy: -118.053
Base-Backbone interact. energy: 1.330
local terms energy: -248.695049
where:
bonds (distance) C4'-P energy: -64.786
bonds (distance) P-C4' energy: -73.788
flat angles C4'-P-C4' energy: -62.416
flat angles P-C4'-P energy: -38.719
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -451.678017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.678017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.678017 (E_RNA)
where:
Base-Base interactions energy: -214.298
where: short stacking energy: -126.668
Base-Backbone interact. energy: 5.716
local terms energy: -243.095700
where:
bonds (distance) C4'-P energy: -51.584
bonds (distance) P-C4' energy: -78.722
flat angles C4'-P-C4' energy: -64.077
flat angles P-C4'-P energy: -40.792
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -329.517929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.517929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.517929 (E_RNA)
where:
Base-Base interactions energy: -133.494
where: short stacking energy: -98.210
Base-Backbone interact. energy: 0.380
local terms energy: -196.404097
where:
bonds (distance) C4'-P energy: -67.905
bonds (distance) P-C4' energy: -55.777
flat angles C4'-P-C4' energy: -53.476
flat angles P-C4'-P energy: -33.209
tors. eta vs tors. theta energy: 13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1321.625166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.625166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.625166 (E_RNA)
where:
Base-Base interactions energy: -893.943
where: short stacking energy: -386.443
Base-Backbone interact. energy: -1.226
local terms energy: -426.456148
where:
bonds (distance) C4'-P energy: -82.269
bonds (distance) P-C4' energy: -79.520
flat angles C4'-P-C4' energy: -91.858
flat angles P-C4'-P energy: -58.489
tors. eta vs tors. theta energy: -114.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1224.556002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.556002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.556002 (E_RNA)
where:
Base-Base interactions energy: -813.120
where: short stacking energy: -374.759
Base-Backbone interact. energy: -1.876
local terms energy: -409.560796
where:
bonds (distance) C4'-P energy: -81.852
bonds (distance) P-C4' energy: -74.887
flat angles C4'-P-C4' energy: -86.226
flat angles P-C4'-P energy: -59.311
tors. eta vs tors. theta energy: -107.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1167.424755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.424755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.424755 (E_RNA)
where:
Base-Base interactions energy: -783.050
where: short stacking energy: -324.903
Base-Backbone interact. energy: -0.988
local terms energy: -383.387061
where:
bonds (distance) C4'-P energy: -69.160
bonds (distance) P-C4' energy: -73.164
flat angles C4'-P-C4' energy: -82.004
flat angles P-C4'-P energy: -60.724
tors. eta vs tors. theta energy: -98.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1059.592979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.592979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.592979 (E_RNA)
where:
Base-Base interactions energy: -696.693
where: short stacking energy: -301.569
Base-Backbone interact. energy: -0.326
local terms energy: -362.574760
where:
bonds (distance) C4'-P energy: -70.644
bonds (distance) P-C4' energy: -77.459
flat angles C4'-P-C4' energy: -68.033
flat angles P-C4'-P energy: -54.578
tors. eta vs tors. theta energy: -91.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -922.209137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.209137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.209137 (E_RNA)
where:
Base-Base interactions energy: -592.926
where: short stacking energy: -269.989
Base-Backbone interact. energy: -0.925
local terms energy: -328.358364
where:
bonds (distance) C4'-P energy: -66.691
bonds (distance) P-C4' energy: -63.163
flat angles C4'-P-C4' energy: -73.015
flat angles P-C4'-P energy: -47.772
tors. eta vs tors. theta energy: -77.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -830.073592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.073592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.073592 (E_RNA)
where:
Base-Base interactions energy: -494.423
where: short stacking energy: -235.545
Base-Backbone interact. energy: 0.823
local terms energy: -336.473623
where:
bonds (distance) C4'-P energy: -76.515
bonds (distance) P-C4' energy: -80.824
flat angles C4'-P-C4' energy: -71.234
flat angles P-C4'-P energy: -46.103
tors. eta vs tors. theta energy: -61.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -588.392677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.392677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.392677 (E_RNA)
where:
Base-Base interactions energy: -311.846
where: short stacking energy: -162.029
Base-Backbone interact. energy: 2.324
local terms energy: -278.871376
where:
bonds (distance) C4'-P energy: -61.651
bonds (distance) P-C4' energy: -75.672
flat angles C4'-P-C4' energy: -74.220
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: -27.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -498.942551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.942551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.942551 (E_RNA)
where:
Base-Base interactions energy: -242.532
where: short stacking energy: -134.827
Base-Backbone interact. energy: -1.299
local terms energy: -255.112253
where:
bonds (distance) C4'-P energy: -69.654
bonds (distance) P-C4' energy: -82.042
flat angles C4'-P-C4' energy: -59.401
flat angles P-C4'-P energy: -39.037
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -439.177498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.177498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.177498 (E_RNA)
where:
Base-Base interactions energy: -204.008
where: short stacking energy: -118.131
Base-Backbone interact. energy: 0.990
local terms energy: -236.159840
where:
bonds (distance) C4'-P energy: -64.260
bonds (distance) P-C4' energy: -73.646
flat angles C4'-P-C4' energy: -57.474
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -12.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -304.700712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.700712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.700712 (E_RNA)
where:
Base-Base interactions energy: -116.126
where: short stacking energy: -89.668
Base-Backbone interact. energy: 3.917
local terms energy: -192.491526
where:
bonds (distance) C4'-P energy: -57.097
bonds (distance) P-C4' energy: -66.026
flat angles C4'-P-C4' energy: -60.450
flat angles P-C4'-P energy: -27.713
tors. eta vs tors. theta energy: 18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1322.636728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.636728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.636728 (E_RNA)
where:
Base-Base interactions energy: -887.040
where: short stacking energy: -370.302
Base-Backbone interact. energy: -2.213
local terms energy: -433.383497
where:
bonds (distance) C4'-P energy: -80.428
bonds (distance) P-C4' energy: -84.196
flat angles C4'-P-C4' energy: -94.493
flat angles P-C4'-P energy: -60.468
tors. eta vs tors. theta energy: -113.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1245.783205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.783205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.783205 (E_RNA)
where:
Base-Base interactions energy: -833.278
where: short stacking energy: -368.206
Base-Backbone interact. energy: -0.417
local terms energy: -412.087610
where:
bonds (distance) C4'-P energy: -73.359
bonds (distance) P-C4' energy: -75.432
flat angles C4'-P-C4' energy: -93.504
flat angles P-C4'-P energy: -59.188
tors. eta vs tors. theta energy: -110.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1201.011186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.011186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.011186 (E_RNA)
where:
Base-Base interactions energy: -822.110
where: short stacking energy: -353.981
Base-Backbone interact. energy: -4.009
local terms energy: -374.891999
where:
bonds (distance) C4'-P energy: -79.313
bonds (distance) P-C4' energy: -64.464
flat angles C4'-P-C4' energy: -85.274
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -93.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1058.666040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.666040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.666040 (E_RNA)
where:
Base-Base interactions energy: -700.702
where: short stacking energy: -324.187
Base-Backbone interact. energy: 0.498
local terms energy: -358.461354
where:
bonds (distance) C4'-P energy: -65.155
bonds (distance) P-C4' energy: -81.401
flat angles C4'-P-C4' energy: -77.066
flat angles P-C4'-P energy: -48.493
tors. eta vs tors. theta energy: -86.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -959.504455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.504455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.504455 (E_RNA)
where:
Base-Base interactions energy: -615.130
where: short stacking energy: -275.834
Base-Backbone interact. energy: 2.587
local terms energy: -346.960896
where:
bonds (distance) C4'-P energy: -66.631
bonds (distance) P-C4' energy: -86.311
flat angles C4'-P-C4' energy: -69.325
flat angles P-C4'-P energy: -57.813
tors. eta vs tors. theta energy: -66.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -881.720477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.720477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.720477 (E_RNA)
where:
Base-Base interactions energy: -561.816
where: short stacking energy: -263.822
Base-Backbone interact. energy: 1.949
local terms energy: -321.853778
where:
bonds (distance) C4'-P energy: -72.626
bonds (distance) P-C4' energy: -54.537
flat angles C4'-P-C4' energy: -81.799
flat angles P-C4'-P energy: -44.735
tors. eta vs tors. theta energy: -68.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -592.872429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.872429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.872429 (E_RNA)
where:
Base-Base interactions energy: -339.616
where: short stacking energy: -164.794
Base-Backbone interact. energy: 3.377
local terms energy: -256.633549
where:
bonds (distance) C4'-P energy: -61.321
bonds (distance) P-C4' energy: -72.673
flat angles C4'-P-C4' energy: -61.824
flat angles P-C4'-P energy: -41.383
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -516.530351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.530351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.530351 (E_RNA)
where:
Base-Base interactions energy: -263.428
where: short stacking energy: -168.083
Base-Backbone interact. energy: -0.914
local terms energy: -252.187848
where:
bonds (distance) C4'-P energy: -63.609
bonds (distance) P-C4' energy: -62.431
flat angles C4'-P-C4' energy: -66.341
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: -34.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -474.295093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.295093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.295093 (E_RNA)
where:
Base-Base interactions energy: -210.779
where: short stacking energy: -127.557
Base-Backbone interact. energy: 1.577
local terms energy: -265.092736
where:
bonds (distance) C4'-P energy: -74.134
bonds (distance) P-C4' energy: -88.937
flat angles C4'-P-C4' energy: -54.581
flat angles P-C4'-P energy: -39.391
tors. eta vs tors. theta energy: -8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -324.451861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.451861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.451861 (E_RNA)
where:
Base-Base interactions energy: -106.369
where: short stacking energy: -87.514
Base-Backbone interact. energy: -1.567
local terms energy: -216.515925
where:
bonds (distance) C4'-P energy: -59.606
bonds (distance) P-C4' energy: -69.418
flat angles C4'-P-C4' energy: -44.285
flat angles P-C4'-P energy: -40.405
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1333.560861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.560861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.560861 (E_RNA)
where:
Base-Base interactions energy: -903.971
where: short stacking energy: -397.693
Base-Backbone interact. energy: -1.316
local terms energy: -428.273733
where:
bonds (distance) C4'-P energy: -82.347
bonds (distance) P-C4' energy: -74.929
flat angles C4'-P-C4' energy: -90.744
flat angles P-C4'-P energy: -61.541
tors. eta vs tors. theta energy: -118.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1248.812007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.812007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.812007 (E_RNA)
where:
Base-Base interactions energy: -848.773
where: short stacking energy: -364.360
Base-Backbone interact. energy: -0.513
local terms energy: -399.526412
where:
bonds (distance) C4'-P energy: -73.859
bonds (distance) P-C4' energy: -73.666
flat angles C4'-P-C4' energy: -91.968
flat angles P-C4'-P energy: -52.162
tors. eta vs tors. theta energy: -107.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1191.099347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.099347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.099347 (E_RNA)
where:
Base-Base interactions energy: -799.154
where: short stacking energy: -342.825
Base-Backbone interact. energy: -0.072
local terms energy: -391.872898
where:
bonds (distance) C4'-P energy: -78.258
bonds (distance) P-C4' energy: -74.966
flat angles C4'-P-C4' energy: -93.083
flat angles P-C4'-P energy: -50.553
tors. eta vs tors. theta energy: -95.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1042.962302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.962302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.962302 (E_RNA)
where:
Base-Base interactions energy: -669.532
where: short stacking energy: -310.493
Base-Backbone interact. energy: -1.761
local terms energy: -371.669597
where:
bonds (distance) C4'-P energy: -73.947
bonds (distance) P-C4' energy: -66.798
flat angles C4'-P-C4' energy: -74.610
flat angles P-C4'-P energy: -64.300
tors. eta vs tors. theta energy: -92.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -953.844308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.844308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.844308 (E_RNA)
where:
Base-Base interactions energy: -614.716
where: short stacking energy: -280.715
Base-Backbone interact. energy: -2.739
local terms energy: -336.389448
where:
bonds (distance) C4'-P energy: -74.189
bonds (distance) P-C4' energy: -69.522
flat angles C4'-P-C4' energy: -76.287
flat angles P-C4'-P energy: -48.257
tors. eta vs tors. theta energy: -68.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -885.609640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.609640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.609640 (E_RNA)
where:
Base-Base interactions energy: -558.130
where: short stacking energy: -258.071
Base-Backbone interact. energy: 1.243
local terms energy: -328.723112
where:
bonds (distance) C4'-P energy: -66.681
bonds (distance) P-C4' energy: -70.027
flat angles C4'-P-C4' energy: -79.587
flat angles P-C4'-P energy: -49.519
tors. eta vs tors. theta energy: -62.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -572.936645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.936645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.936645 (E_RNA)
where:
Base-Base interactions energy: -293.406
where: short stacking energy: -171.406
Base-Backbone interact. energy: 2.135
local terms energy: -281.665578
where:
bonds (distance) C4'-P energy: -64.888
bonds (distance) P-C4' energy: -69.130
flat angles C4'-P-C4' energy: -72.144
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: -33.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -502.187053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.187053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.187053 (E_RNA)
where:
Base-Base interactions energy: -238.317
where: short stacking energy: -147.742
Base-Backbone interact. energy: -1.818
local terms energy: -262.051901
where:
bonds (distance) C4'-P energy: -52.913
bonds (distance) P-C4' energy: -82.986
flat angles C4'-P-C4' energy: -59.854
flat angles P-C4'-P energy: -43.710
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -429.661869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.661869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.661869 (E_RNA)
where:
Base-Base interactions energy: -190.159
where: short stacking energy: -93.851
Base-Backbone interact. energy: -0.643
local terms energy: -238.859541
where:
bonds (distance) C4'-P energy: -58.775
bonds (distance) P-C4' energy: -78.129
flat angles C4'-P-C4' energy: -57.150
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -303.651329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.651329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.651329 (E_RNA)
where:
Base-Base interactions energy: -93.758
where: short stacking energy: -81.265
Base-Backbone interact. energy: -2.351
local terms energy: -207.542054
where:
bonds (distance) C4'-P energy: -51.487
bonds (distance) P-C4' energy: -63.864
flat angles C4'-P-C4' energy: -72.734
flat angles P-C4'-P energy: -28.870
tors. eta vs tors. theta energy: 9.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1329.568137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.568137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.568137 (E_RNA)
where:
Base-Base interactions energy: -911.941
where: short stacking energy: -377.672
Base-Backbone interact. energy: 2.719
local terms energy: -420.345714
where:
bonds (distance) C4'-P energy: -74.987
bonds (distance) P-C4' energy: -76.993
flat angles C4'-P-C4' energy: -87.458
flat angles P-C4'-P energy: -64.125
tors. eta vs tors. theta energy: -116.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1237.796092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.796092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.796092 (E_RNA)
where:
Base-Base interactions energy: -829.886
where: short stacking energy: -352.320
Base-Backbone interact. energy: -1.357
local terms energy: -406.552614
where:
bonds (distance) C4'-P energy: -70.503
bonds (distance) P-C4' energy: -81.152
flat angles C4'-P-C4' energy: -84.160
flat angles P-C4'-P energy: -57.992
tors. eta vs tors. theta energy: -112.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1192.013487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.013487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.013487 (E_RNA)
where:
Base-Base interactions energy: -820.442
where: short stacking energy: -353.790
Base-Backbone interact. energy: -0.164
local terms energy: -371.407538
where:
bonds (distance) C4'-P energy: -78.744
bonds (distance) P-C4' energy: -56.582
flat angles C4'-P-C4' energy: -81.394
flat angles P-C4'-P energy: -49.725
tors. eta vs tors. theta energy: -104.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -999.537386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.537386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.537386 (E_RNA)
where:
Base-Base interactions energy: -656.987
where: short stacking energy: -282.608
Base-Backbone interact. energy: 0.144
local terms energy: -342.694417
where:
bonds (distance) C4'-P energy: -72.285
bonds (distance) P-C4' energy: -74.004
flat angles C4'-P-C4' energy: -83.375
flat angles P-C4'-P energy: -35.225
tors. eta vs tors. theta energy: -77.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -924.850783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.850783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.850783 (E_RNA)
where:
Base-Base interactions energy: -580.587
where: short stacking energy: -253.317
Base-Backbone interact. energy: -2.339
local terms energy: -341.924907
where:
bonds (distance) C4'-P energy: -62.664
bonds (distance) P-C4' energy: -76.437
flat angles C4'-P-C4' energy: -83.362
flat angles P-C4'-P energy: -50.377
tors. eta vs tors. theta energy: -69.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -812.421667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.421667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.421667 (E_RNA)
where:
Base-Base interactions energy: -506.970
where: short stacking energy: -209.719
Base-Backbone interact. energy: -2.163
local terms energy: -303.288847
where:
bonds (distance) C4'-P energy: -66.928
bonds (distance) P-C4' energy: -71.053
flat angles C4'-P-C4' energy: -61.249
flat angles P-C4'-P energy: -53.693
tors. eta vs tors. theta energy: -50.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -503.836322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.836322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.836322 (E_RNA)
where:
Base-Base interactions energy: -251.476
where: short stacking energy: -157.214
Base-Backbone interact. energy: -3.508
local terms energy: -248.852395
where:
bonds (distance) C4'-P energy: -66.517
bonds (distance) P-C4' energy: -60.736
flat angles C4'-P-C4' energy: -71.167
flat angles P-C4'-P energy: -35.030
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -564.377143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.377143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.377143 (E_RNA)
where:
Base-Base interactions energy: -298.826
where: short stacking energy: -150.655
Base-Backbone interact. energy: 2.228
local terms energy: -267.778786
where:
bonds (distance) C4'-P energy: -77.590
bonds (distance) P-C4' energy: -69.469
flat angles C4'-P-C4' energy: -58.546
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -453.444524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.444524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.444524 (E_RNA)
where:
Base-Base interactions energy: -182.283
where: short stacking energy: -121.077
Base-Backbone interact. energy: -1.216
local terms energy: -269.945711
where:
bonds (distance) C4'-P energy: -71.519
bonds (distance) P-C4' energy: -71.438
flat angles C4'-P-C4' energy: -65.620
flat angles P-C4'-P energy: -43.539
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -322.798244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.798244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.798244 (E_RNA)
where:
Base-Base interactions energy: -125.678
where: short stacking energy: -100.243
Base-Backbone interact. energy: 4.961
local terms energy: -202.081402
where:
bonds (distance) C4'-P energy: -74.556
bonds (distance) P-C4' energy: -64.366
flat angles C4'-P-C4' energy: -47.535
flat angles P-C4'-P energy: -26.213
tors. eta vs tors. theta energy: 10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1327.596433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.596433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.596433 (E_RNA)
where:
Base-Base interactions energy: -893.456
where: short stacking energy: -389.875
Base-Backbone interact. energy: -1.851
local terms energy: -432.289177
where:
bonds (distance) C4'-P energy: -80.472
bonds (distance) P-C4' energy: -88.570
flat angles C4'-P-C4' energy: -88.996
flat angles P-C4'-P energy: -52.170
tors. eta vs tors. theta energy: -122.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1214.913238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.913238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.913238 (E_RNA)
where:
Base-Base interactions energy: -801.064
where: short stacking energy: -332.579
Base-Backbone interact. energy: -0.714
local terms energy: -413.135558
where:
bonds (distance) C4'-P energy: -72.304
bonds (distance) P-C4' energy: -85.428
flat angles C4'-P-C4' energy: -83.577
flat angles P-C4'-P energy: -64.350
tors. eta vs tors. theta energy: -107.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1207.276014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.276014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.276014 (E_RNA)
where:
Base-Base interactions energy: -814.753
where: short stacking energy: -365.990
Base-Backbone interact. energy: -2.786
local terms energy: -389.737187
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -73.505
flat angles C4'-P-C4' energy: -82.340
flat angles P-C4'-P energy: -63.295
tors. eta vs tors. theta energy: -101.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1028.641721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.641721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.641721 (E_RNA)
where:
Base-Base interactions energy: -671.776
where: short stacking energy: -307.986
Base-Backbone interact. energy: -2.505
local terms energy: -354.360211
where:
bonds (distance) C4'-P energy: -77.440
bonds (distance) P-C4' energy: -67.383
flat angles C4'-P-C4' energy: -78.520
flat angles P-C4'-P energy: -46.940
tors. eta vs tors. theta energy: -84.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -927.670884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.670884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.670884 (E_RNA)
where:
Base-Base interactions energy: -581.004
where: short stacking energy: -267.573
Base-Backbone interact. energy: 3.779
local terms energy: -350.445749
where:
bonds (distance) C4'-P energy: -79.869
bonds (distance) P-C4' energy: -74.746
flat angles C4'-P-C4' energy: -83.698
flat angles P-C4'-P energy: -52.283
tors. eta vs tors. theta energy: -59.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -887.422849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.422849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.422849 (E_RNA)
where:
Base-Base interactions energy: -570.172
where: short stacking energy: -240.198
Base-Backbone interact. energy: -0.467
local terms energy: -316.784040
where:
bonds (distance) C4'-P energy: -71.426
bonds (distance) P-C4' energy: -70.071
flat angles C4'-P-C4' energy: -71.618
flat angles P-C4'-P energy: -44.220
tors. eta vs tors. theta energy: -59.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -528.973469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.973469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.973469 (E_RNA)
where:
Base-Base interactions energy: -242.825
where: short stacking energy: -150.268
Base-Backbone interact. energy: -2.499
local terms energy: -283.649361
where:
bonds (distance) C4'-P energy: -70.523
bonds (distance) P-C4' energy: -82.966
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -47.047
tors. eta vs tors. theta energy: -30.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -477.902518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.902518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.902518 (E_RNA)
where:
Base-Base interactions energy: -222.673
where: short stacking energy: -117.678
Base-Backbone interact. energy: -0.191
local terms energy: -255.038466
where:
bonds (distance) C4'-P energy: -70.790
bonds (distance) P-C4' energy: -77.812
flat angles C4'-P-C4' energy: -68.320
flat angles P-C4'-P energy: -33.828
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -492.272331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.272331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.272331 (E_RNA)
where:
Base-Base interactions energy: -232.662
where: short stacking energy: -131.206
Base-Backbone interact. energy: 3.148
local terms energy: -262.758376
where:
bonds (distance) C4'-P energy: -69.368
bonds (distance) P-C4' energy: -82.075
flat angles C4'-P-C4' energy: -57.136
flat angles P-C4'-P energy: -36.172
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -311.325017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.325017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.325017 (E_RNA)
where:
Base-Base interactions energy: -88.998
where: short stacking energy: -73.296
Base-Backbone interact. energy: -3.292
local terms energy: -219.034829
where:
bonds (distance) C4'-P energy: -74.533
bonds (distance) P-C4' energy: -71.294
flat angles C4'-P-C4' energy: -51.272
flat angles P-C4'-P energy: -27.415
tors. eta vs tors. theta energy: 5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1311.958235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.958235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.958235 (E_RNA)
where:
Base-Base interactions energy: -883.296
where: short stacking energy: -377.501
Base-Backbone interact. energy: -0.596
local terms energy: -428.066422
where:
bonds (distance) C4'-P energy: -76.934
bonds (distance) P-C4' energy: -77.838
flat angles C4'-P-C4' energy: -93.516
flat angles P-C4'-P energy: -61.157
tors. eta vs tors. theta energy: -118.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1214.485160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.485160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.485160 (E_RNA)
where:
Base-Base interactions energy: -820.560
where: short stacking energy: -348.496
Base-Backbone interact. energy: 4.050
local terms energy: -397.975408
where:
bonds (distance) C4'-P energy: -78.552
bonds (distance) P-C4' energy: -73.053
flat angles C4'-P-C4' energy: -74.454
flat angles P-C4'-P energy: -64.664
tors. eta vs tors. theta energy: -107.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1204.344259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.344259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.344259 (E_RNA)
where:
Base-Base interactions energy: -826.222
where: short stacking energy: -365.103
Base-Backbone interact. energy: -2.362
local terms energy: -375.760178
where:
bonds (distance) C4'-P energy: -68.379
bonds (distance) P-C4' energy: -74.093
flat angles C4'-P-C4' energy: -84.096
flat angles P-C4'-P energy: -50.276
tors. eta vs tors. theta energy: -98.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1026.559207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.559207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.559207 (E_RNA)
where:
Base-Base interactions energy: -652.858
where: short stacking energy: -323.679
Base-Backbone interact. energy: -0.365
local terms energy: -373.336067
where:
bonds (distance) C4'-P energy: -64.631
bonds (distance) P-C4' energy: -66.191
flat angles C4'-P-C4' energy: -84.727
flat angles P-C4'-P energy: -56.660
tors. eta vs tors. theta energy: -101.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -935.073985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.073985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.073985 (E_RNA)
where:
Base-Base interactions energy: -597.503
where: short stacking energy: -287.196
Base-Backbone interact. energy: -1.469
local terms energy: -336.101949
where:
bonds (distance) C4'-P energy: -57.757
bonds (distance) P-C4' energy: -68.934
flat angles C4'-P-C4' energy: -73.267
flat angles P-C4'-P energy: -63.489
tors. eta vs tors. theta energy: -72.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -876.797618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.797618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.797618 (E_RNA)
where:
Base-Base interactions energy: -564.810
where: short stacking energy: -231.877
Base-Backbone interact. energy: -0.583
local terms energy: -311.404330
where:
bonds (distance) C4'-P energy: -64.679
bonds (distance) P-C4' energy: -69.666
flat angles C4'-P-C4' energy: -75.001
flat angles P-C4'-P energy: -44.692
tors. eta vs tors. theta energy: -57.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -550.474435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.474435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.474435 (E_RNA)
where:
Base-Base interactions energy: -285.542
where: short stacking energy: -181.681
Base-Backbone interact. energy: -0.398
local terms energy: -264.535076
where:
bonds (distance) C4'-P energy: -69.476
bonds (distance) P-C4' energy: -62.460
flat angles C4'-P-C4' energy: -65.078
flat angles P-C4'-P energy: -47.906
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -490.083217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.083217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.083217 (E_RNA)
where:
Base-Base interactions energy: -235.998
where: short stacking energy: -139.329
Base-Backbone interact. energy: -4.288
local terms energy: -249.796635
where:
bonds (distance) C4'-P energy: -71.188
bonds (distance) P-C4' energy: -71.779
flat angles C4'-P-C4' energy: -62.755
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -7.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -491.506219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.506219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.506219 (E_RNA)
where:
Base-Base interactions energy: -257.819
where: short stacking energy: -135.943
Base-Backbone interact. energy: -1.436
local terms energy: -232.251495
where:
bonds (distance) C4'-P energy: -61.041
bonds (distance) P-C4' energy: -66.817
flat angles C4'-P-C4' energy: -55.986
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -326.795605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.795605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.795605 (E_RNA)
where:
Base-Base interactions energy: -129.772
where: short stacking energy: -83.658
Base-Backbone interact. energy: -3.283
local terms energy: -193.740743
where:
bonds (distance) C4'-P energy: -62.201
bonds (distance) P-C4' energy: -71.536
flat angles C4'-P-C4' energy: -52.688
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: 9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1309.779995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.779995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.779995 (E_RNA)
where:
Base-Base interactions energy: -874.776
where: short stacking energy: -367.496
Base-Backbone interact. energy: -2.934
local terms energy: -432.069787
where:
bonds (distance) C4'-P energy: -81.580
bonds (distance) P-C4' energy: -80.674
flat angles C4'-P-C4' energy: -93.183
flat angles P-C4'-P energy: -62.442
tors. eta vs tors. theta energy: -114.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1221.566304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.566304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.566304 (E_RNA)
where:
Base-Base interactions energy: -818.417
where: short stacking energy: -356.372
Base-Backbone interact. energy: -1.077
local terms energy: -402.072923
where:
bonds (distance) C4'-P energy: -78.532
bonds (distance) P-C4' energy: -67.806
flat angles C4'-P-C4' energy: -90.911
flat angles P-C4'-P energy: -52.001
tors. eta vs tors. theta energy: -112.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1228.575728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.575728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.575728 (E_RNA)
where:
Base-Base interactions energy: -843.520
where: short stacking energy: -373.273
Base-Backbone interact. energy: -0.828
local terms energy: -384.227045
where:
bonds (distance) C4'-P energy: -65.469
bonds (distance) P-C4' energy: -66.966
flat angles C4'-P-C4' energy: -88.970
flat angles P-C4'-P energy: -58.547
tors. eta vs tors. theta energy: -104.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1109.520713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.520713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.520713 (E_RNA)
where:
Base-Base interactions energy: -735.468
where: short stacking energy: -327.906
Base-Backbone interact. energy: 1.304
local terms energy: -375.356716
where:
bonds (distance) C4'-P energy: -65.680
bonds (distance) P-C4' energy: -78.947
flat angles C4'-P-C4' energy: -73.488
flat angles P-C4'-P energy: -53.721
tors. eta vs tors. theta energy: -103.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -930.337679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.337679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.337679 (E_RNA)
where:
Base-Base interactions energy: -583.761
where: short stacking energy: -273.927
Base-Backbone interact. energy: -1.870
local terms energy: -344.706839
where:
bonds (distance) C4'-P energy: -60.761
bonds (distance) P-C4' energy: -75.091
flat angles C4'-P-C4' energy: -76.147
flat angles P-C4'-P energy: -55.928
tors. eta vs tors. theta energy: -76.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -898.271124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.271124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.271124 (E_RNA)
where:
Base-Base interactions energy: -578.573
where: short stacking energy: -259.352
Base-Backbone interact. energy: 1.058
local terms energy: -320.756585
where:
bonds (distance) C4'-P energy: -64.187
bonds (distance) P-C4' energy: -71.766
flat angles C4'-P-C4' energy: -75.688
flat angles P-C4'-P energy: -41.089
tors. eta vs tors. theta energy: -68.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -580.931233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.931233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.931233 (E_RNA)
where:
Base-Base interactions energy: -313.219
where: short stacking energy: -157.493
Base-Backbone interact. energy: -1.671
local terms energy: -266.040834
where:
bonds (distance) C4'-P energy: -74.978
bonds (distance) P-C4' energy: -73.800
flat angles C4'-P-C4' energy: -64.180
flat angles P-C4'-P energy: -40.239
tors. eta vs tors. theta energy: -12.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -477.961320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.961320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.961320 (E_RNA)
where:
Base-Base interactions energy: -236.322
where: short stacking energy: -139.133
Base-Backbone interact. energy: 1.753
local terms energy: -243.392659
where:
bonds (distance) C4'-P energy: -54.050
bonds (distance) P-C4' energy: -70.782
flat angles C4'-P-C4' energy: -68.811
flat angles P-C4'-P energy: -47.227
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -501.256426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.256426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.256426 (E_RNA)
where:
Base-Base interactions energy: -227.251
where: short stacking energy: -111.271
Base-Backbone interact. energy: -3.029
local terms energy: -270.975567
where:
bonds (distance) C4'-P energy: -71.129
bonds (distance) P-C4' energy: -79.736
flat angles C4'-P-C4' energy: -61.509
flat angles P-C4'-P energy: -44.224
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -300.332801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.332801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.332801 (E_RNA)
where:
Base-Base interactions energy: -103.119
where: short stacking energy: -87.801
Base-Backbone interact. energy: 0.483
local terms energy: -197.697121
where:
bonds (distance) C4'-P energy: -53.415
bonds (distance) P-C4' energy: -57.060
flat angles C4'-P-C4' energy: -68.309
flat angles P-C4'-P energy: -28.009
tors. eta vs tors. theta energy: 9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1311.161921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.161921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.161921 (E_RNA)
where:
Base-Base interactions energy: -881.059
where: short stacking energy: -376.126
Base-Backbone interact. energy: 2.995
local terms energy: -433.098538
where:
bonds (distance) C4'-P energy: -86.787
bonds (distance) P-C4' energy: -80.740
flat angles C4'-P-C4' energy: -84.938
flat angles P-C4'-P energy: -64.140
tors. eta vs tors. theta energy: -116.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1243.239467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.239467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.239467 (E_RNA)
where:
Base-Base interactions energy: -839.429
where: short stacking energy: -355.978
Base-Backbone interact. energy: -0.964
local terms energy: -402.846705
where:
bonds (distance) C4'-P energy: -75.871
bonds (distance) P-C4' energy: -72.140
flat angles C4'-P-C4' energy: -84.709
flat angles P-C4'-P energy: -59.066
tors. eta vs tors. theta energy: -111.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1208.476974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.476974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.476974 (E_RNA)
where:
Base-Base interactions energy: -809.966
where: short stacking energy: -375.457
Base-Backbone interact. energy: -0.860
local terms energy: -397.650763
where:
bonds (distance) C4'-P energy: -67.081
bonds (distance) P-C4' energy: -75.959
flat angles C4'-P-C4' energy: -90.777
flat angles P-C4'-P energy: -62.248
tors. eta vs tors. theta energy: -101.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1086.993033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.993033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.993033 (E_RNA)
where:
Base-Base interactions energy: -711.405
where: short stacking energy: -326.065
Base-Backbone interact. energy: -1.478
local terms energy: -374.110328
where:
bonds (distance) C4'-P energy: -75.736
bonds (distance) P-C4' energy: -74.423
flat angles C4'-P-C4' energy: -78.750
flat angles P-C4'-P energy: -49.972
tors. eta vs tors. theta energy: -95.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -967.272803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.272803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.272803 (E_RNA)
where:
Base-Base interactions energy: -623.641
where: short stacking energy: -259.559
Base-Backbone interact. energy: -1.769
local terms energy: -341.863114
where:
bonds (distance) C4'-P energy: -71.567
bonds (distance) P-C4' energy: -65.009
flat angles C4'-P-C4' energy: -78.237
flat angles P-C4'-P energy: -55.802
tors. eta vs tors. theta energy: -71.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -900.049583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.049583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.049583 (E_RNA)
where:
Base-Base interactions energy: -572.916
where: short stacking energy: -230.531
Base-Backbone interact. energy: -1.291
local terms energy: -325.842507
where:
bonds (distance) C4'-P energy: -71.440
bonds (distance) P-C4' energy: -74.933
flat angles C4'-P-C4' energy: -78.997
flat angles P-C4'-P energy: -41.887
tors. eta vs tors. theta energy: -58.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -615.386014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.386014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.386014 (E_RNA)
where:
Base-Base interactions energy: -322.945
where: short stacking energy: -187.480
Base-Backbone interact. energy: 0.850
local terms energy: -293.290770
where:
bonds (distance) C4'-P energy: -70.206
bonds (distance) P-C4' energy: -80.987
flat angles C4'-P-C4' energy: -71.072
flat angles P-C4'-P energy: -33.714
tors. eta vs tors. theta energy: -37.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -473.411230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.411230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.411230 (E_RNA)
where:
Base-Base interactions energy: -230.370
where: short stacking energy: -133.753
Base-Backbone interact. energy: -0.109
local terms energy: -242.931625
where:
bonds (distance) C4'-P energy: -72.075
bonds (distance) P-C4' energy: -71.500
flat angles C4'-P-C4' energy: -49.779
flat angles P-C4'-P energy: -44.497
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -518.146656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.146656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.146656 (E_RNA)
where:
Base-Base interactions energy: -257.281
where: short stacking energy: -133.041
Base-Backbone interact. energy: -0.578
local terms energy: -260.288272
where:
bonds (distance) C4'-P energy: -69.482
bonds (distance) P-C4' energy: -76.909
flat angles C4'-P-C4' energy: -62.445
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -11.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -314.179674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.179674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.179674 (E_RNA)
where:
Base-Base interactions energy: -101.059
where: short stacking energy: -80.804
Base-Backbone interact. energy: -0.814
local terms energy: -212.306311
where:
bonds (distance) C4'-P energy: -62.672
bonds (distance) P-C4' energy: -64.546
flat angles C4'-P-C4' energy: -57.289
flat angles P-C4'-P energy: -27.169
tors. eta vs tors. theta energy: -0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1302.662242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.662242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.662242 (E_RNA)
where:
Base-Base interactions energy: -870.072
where: short stacking energy: -373.468
Base-Backbone interact. energy: -0.956
local terms energy: -431.634275
where:
bonds (distance) C4'-P energy: -76.627
bonds (distance) P-C4' energy: -87.715
flat angles C4'-P-C4' energy: -93.316
flat angles P-C4'-P energy: -54.661
tors. eta vs tors. theta energy: -119.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1227.524657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.524657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.524657 (E_RNA)
where:
Base-Base interactions energy: -827.650
where: short stacking energy: -365.170
Base-Backbone interact. energy: -1.395
local terms energy: -398.479814
where:
bonds (distance) C4'-P energy: -75.737
bonds (distance) P-C4' energy: -76.274
flat angles C4'-P-C4' energy: -92.553
flat angles P-C4'-P energy: -54.704
tors. eta vs tors. theta energy: -99.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1228.508541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.508541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.508541 (E_RNA)
where:
Base-Base interactions energy: -833.857
where: short stacking energy: -347.540
Base-Backbone interact. energy: -0.637
local terms energy: -394.014562
where:
bonds (distance) C4'-P energy: -80.529
bonds (distance) P-C4' energy: -70.942
flat angles C4'-P-C4' energy: -88.136
flat angles P-C4'-P energy: -58.242
tors. eta vs tors. theta energy: -96.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1103.535434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.535434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.535434 (E_RNA)
where:
Base-Base interactions energy: -728.582
where: short stacking energy: -303.672
Base-Backbone interact. energy: -0.279
local terms energy: -374.674329
where:
bonds (distance) C4'-P energy: -69.386
bonds (distance) P-C4' energy: -70.034
flat angles C4'-P-C4' energy: -86.666
flat angles P-C4'-P energy: -58.994
tors. eta vs tors. theta energy: -89.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -928.025352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.025352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.025352 (E_RNA)
where:
Base-Base interactions energy: -582.015
where: short stacking energy: -259.508
Base-Backbone interact. energy: -2.632
local terms energy: -343.377774
where:
bonds (distance) C4'-P energy: -70.202
bonds (distance) P-C4' energy: -87.378
flat angles C4'-P-C4' energy: -83.044
flat angles P-C4'-P energy: -47.088
tors. eta vs tors. theta energy: -55.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -881.039344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.039344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.039344 (E_RNA)
where:
Base-Base interactions energy: -572.294
where: short stacking energy: -229.676
Base-Backbone interact. energy: 1.562
local terms energy: -310.306566
where:
bonds (distance) C4'-P energy: -72.293
bonds (distance) P-C4' energy: -69.163
flat angles C4'-P-C4' energy: -70.876
flat angles P-C4'-P energy: -40.965
tors. eta vs tors. theta energy: -57.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -633.000562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.000562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.000562 (E_RNA)
where:
Base-Base interactions energy: -363.946
where: short stacking energy: -190.640
Base-Backbone interact. energy: 0.659
local terms energy: -269.713306
where:
bonds (distance) C4'-P energy: -64.311
bonds (distance) P-C4' energy: -66.895
flat angles C4'-P-C4' energy: -59.840
flat angles P-C4'-P energy: -40.247
tors. eta vs tors. theta energy: -38.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -599.078591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.078591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.078591 (E_RNA)
where:
Base-Base interactions energy: -353.543
where: short stacking energy: -166.947
Base-Backbone interact. energy: -1.484
local terms energy: -244.051499
where:
bonds (distance) C4'-P energy: -56.238
bonds (distance) P-C4' energy: -64.124
flat angles C4'-P-C4' energy: -66.042
flat angles P-C4'-P energy: -34.618
tors. eta vs tors. theta energy: -23.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -555.241991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.241991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.241991 (E_RNA)
where:
Base-Base interactions energy: -295.227
where: short stacking energy: -141.357
Base-Backbone interact. energy: -2.292
local terms energy: -257.722369
where:
bonds (distance) C4'-P energy: -54.506
bonds (distance) P-C4' energy: -79.307
flat angles C4'-P-C4' energy: -69.613
flat angles P-C4'-P energy: -42.687
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -315.605311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.605311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.605311 (E_RNA)
where:
Base-Base interactions energy: -93.933
where: short stacking energy: -69.830
Base-Backbone interact. energy: 3.270
local terms energy: -224.942369
where:
bonds (distance) C4'-P energy: -63.901
bonds (distance) P-C4' energy: -71.987
flat angles C4'-P-C4' energy: -57.404
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: 5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1337.222589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.222589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.222589 (E_RNA)
where:
Base-Base interactions energy: -910.458
where: short stacking energy: -385.179
Base-Backbone interact. energy: -2.001
local terms energy: -424.763331
where:
bonds (distance) C4'-P energy: -82.465
bonds (distance) P-C4' energy: -86.721
flat angles C4'-P-C4' energy: -74.030
flat angles P-C4'-P energy: -57.664
tors. eta vs tors. theta energy: -123.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1258.886362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.886362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.886362 (E_RNA)
where:
Base-Base interactions energy: -868.703
where: short stacking energy: -357.152
Base-Backbone interact. energy: -2.570
local terms energy: -387.613397
where:
bonds (distance) C4'-P energy: -70.583
bonds (distance) P-C4' energy: -72.686
flat angles C4'-P-C4' energy: -87.643
flat angles P-C4'-P energy: -50.243
tors. eta vs tors. theta energy: -106.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1190.099057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.099057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.099057 (E_RNA)
where:
Base-Base interactions energy: -812.280
where: short stacking energy: -325.462
Base-Backbone interact. energy: 0.246
local terms energy: -378.064885
where:
bonds (distance) C4'-P energy: -73.120
bonds (distance) P-C4' energy: -76.224
flat angles C4'-P-C4' energy: -69.954
flat angles P-C4'-P energy: -60.792
tors. eta vs tors. theta energy: -97.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1113.980796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.980796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.980796 (E_RNA)
where:
Base-Base interactions energy: -748.329
where: short stacking energy: -333.072
Base-Backbone interact. energy: -0.634
local terms energy: -365.017420
where:
bonds (distance) C4'-P energy: -65.132
bonds (distance) P-C4' energy: -75.379
flat angles C4'-P-C4' energy: -77.765
flat angles P-C4'-P energy: -44.592
tors. eta vs tors. theta energy: -102.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -960.369408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.369408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.369408 (E_RNA)
where:
Base-Base interactions energy: -601.003
where: short stacking energy: -254.594
Base-Backbone interact. energy: -0.673
local terms energy: -358.693547
where:
bonds (distance) C4'-P energy: -64.440
bonds (distance) P-C4' energy: -85.165
flat angles C4'-P-C4' energy: -92.193
flat angles P-C4'-P energy: -49.945
tors. eta vs tors. theta energy: -66.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -800.401378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.401378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.401378 (E_RNA)
where:
Base-Base interactions energy: -494.274
where: short stacking energy: -202.703
Base-Backbone interact. energy: -2.080
local terms energy: -304.046700
where:
bonds (distance) C4'-P energy: -68.916
bonds (distance) P-C4' energy: -73.785
flat angles C4'-P-C4' energy: -78.045
flat angles P-C4'-P energy: -42.299
tors. eta vs tors. theta energy: -41.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -641.693380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.693380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.693380 (E_RNA)
where:
Base-Base interactions energy: -339.917
where: short stacking energy: -164.802
Base-Backbone interact. energy: -0.742
local terms energy: -301.034015
where:
bonds (distance) C4'-P energy: -80.736
bonds (distance) P-C4' energy: -74.920
flat angles C4'-P-C4' energy: -74.845
flat angles P-C4'-P energy: -42.647
tors. eta vs tors. theta energy: -27.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -625.243924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.243924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.243924 (E_RNA)
where:
Base-Base interactions energy: -352.620
where: short stacking energy: -167.591
Base-Backbone interact. energy: 1.166
local terms energy: -273.790121
where:
bonds (distance) C4'-P energy: -69.381
bonds (distance) P-C4' energy: -70.034
flat angles C4'-P-C4' energy: -59.223
flat angles P-C4'-P energy: -45.767
tors. eta vs tors. theta energy: -29.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -515.406945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.406945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.406945 (E_RNA)
where:
Base-Base interactions energy: -250.016
where: short stacking energy: -151.481
Base-Backbone interact. energy: 1.172
local terms energy: -266.563029
where:
bonds (distance) C4'-P energy: -63.648
bonds (distance) P-C4' energy: -71.753
flat angles C4'-P-C4' energy: -67.693
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: -19.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -351.978450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.978450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.978450 (E_RNA)
where:
Base-Base interactions energy: -144.632
where: short stacking energy: -100.594
Base-Backbone interact. energy: 5.469
local terms energy: -212.815018
where:
bonds (distance) C4'-P energy: -71.111
bonds (distance) P-C4' energy: -53.252
flat angles C4'-P-C4' energy: -59.343
flat angles P-C4'-P energy: -40.544
tors. eta vs tors. theta energy: 11.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1328.863875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.863875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.863875 (E_RNA)
where:
Base-Base interactions energy: -901.123
where: short stacking energy: -384.114
Base-Backbone interact. energy: -2.125
local terms energy: -425.615696
where:
bonds (distance) C4'-P energy: -80.223
bonds (distance) P-C4' energy: -73.288
flat angles C4'-P-C4' energy: -97.745
flat angles P-C4'-P energy: -54.915
tors. eta vs tors. theta energy: -119.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1232.099364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.099364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.099364 (E_RNA)
where:
Base-Base interactions energy: -834.296
where: short stacking energy: -369.345
Base-Backbone interact. energy: -0.978
local terms energy: -396.826303
where:
bonds (distance) C4'-P energy: -78.045
bonds (distance) P-C4' energy: -75.118
flat angles C4'-P-C4' energy: -84.780
flat angles P-C4'-P energy: -54.964
tors. eta vs tors. theta energy: -103.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1184.813103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.813103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.813103 (E_RNA)
where:
Base-Base interactions energy: -805.811
where: short stacking energy: -351.228
Base-Backbone interact. energy: 2.611
local terms energy: -381.612767
where:
bonds (distance) C4'-P energy: -71.657
bonds (distance) P-C4' energy: -66.354
flat angles C4'-P-C4' energy: -89.385
flat angles P-C4'-P energy: -54.949
tors. eta vs tors. theta energy: -99.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1117.684022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.684022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.684022 (E_RNA)
where:
Base-Base interactions energy: -754.163
where: short stacking energy: -349.213
Base-Backbone interact. energy: -1.336
local terms energy: -362.184563
where:
bonds (distance) C4'-P energy: -69.326
bonds (distance) P-C4' energy: -64.979
flat angles C4'-P-C4' energy: -76.778
flat angles P-C4'-P energy: -55.590
tors. eta vs tors. theta energy: -95.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -977.158946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.158946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.158946 (E_RNA)
where:
Base-Base interactions energy: -629.468
where: short stacking energy: -261.443
Base-Backbone interact. energy: -2.778
local terms energy: -344.913323
where:
bonds (distance) C4'-P energy: -74.195
bonds (distance) P-C4' energy: -72.596
flat angles C4'-P-C4' energy: -72.062
flat angles P-C4'-P energy: -51.484
tors. eta vs tors. theta energy: -74.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -805.488862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.488862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.488862 (E_RNA)
where:
Base-Base interactions energy: -504.909
where: short stacking energy: -228.051
Base-Backbone interact. energy: -3.539
local terms energy: -297.041454
where:
bonds (distance) C4'-P energy: -69.773
bonds (distance) P-C4' energy: -69.721
flat angles C4'-P-C4' energy: -66.608
flat angles P-C4'-P energy: -39.916
tors. eta vs tors. theta energy: -51.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -671.517997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.517997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.517997 (E_RNA)
where:
Base-Base interactions energy: -373.765
where: short stacking energy: -171.482
Base-Backbone interact. energy: -1.608
local terms energy: -296.145233
where:
bonds (distance) C4'-P energy: -65.469
bonds (distance) P-C4' energy: -78.782
flat angles C4'-P-C4' energy: -68.911
flat angles P-C4'-P energy: -46.824
tors. eta vs tors. theta energy: -36.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -631.555679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.555679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.555679 (E_RNA)
where:
Base-Base interactions energy: -373.759
where: short stacking energy: -169.777
Base-Backbone interact. energy: -0.402
local terms energy: -257.395274
where:
bonds (distance) C4'-P energy: -66.434
bonds (distance) P-C4' energy: -67.889
flat angles C4'-P-C4' energy: -54.869
flat angles P-C4'-P energy: -43.211
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -489.658581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.658581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.658581 (E_RNA)
where:
Base-Base interactions energy: -245.471
where: short stacking energy: -131.804
Base-Backbone interact. energy: -0.546
local terms energy: -243.642298
where:
bonds (distance) C4'-P energy: -67.732
bonds (distance) P-C4' energy: -76.951
flat angles C4'-P-C4' energy: -61.613
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -338.061801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.061801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.061801 (E_RNA)
where:
Base-Base interactions energy: -116.736
where: short stacking energy: -98.049
Base-Backbone interact. energy: 5.294
local terms energy: -226.619763
where:
bonds (distance) C4'-P energy: -69.554
bonds (distance) P-C4' energy: -66.205
flat angles C4'-P-C4' energy: -53.797
flat angles P-C4'-P energy: -32.694
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1359.332449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.332449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.332449 (E_RNA)
where:
Base-Base interactions energy: -912.784
where: short stacking energy: -396.724
Base-Backbone interact. energy: -0.104
local terms energy: -446.444430
where:
bonds (distance) C4'-P energy: -82.676
bonds (distance) P-C4' energy: -81.285
flat angles C4'-P-C4' energy: -98.122
flat angles P-C4'-P energy: -58.002
tors. eta vs tors. theta energy: -126.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1271.049235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.049235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.049235 (E_RNA)
where:
Base-Base interactions energy: -860.736
where: short stacking energy: -365.985
Base-Backbone interact. energy: -3.358
local terms energy: -406.954543
where:
bonds (distance) C4'-P energy: -79.670
bonds (distance) P-C4' energy: -76.255
flat angles C4'-P-C4' energy: -82.815
flat angles P-C4'-P energy: -61.812
tors. eta vs tors. theta energy: -106.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1173.537551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.537551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.537551 (E_RNA)
where:
Base-Base interactions energy: -789.539
where: short stacking energy: -343.506
Base-Backbone interact. energy: -1.066
local terms energy: -382.932806
where:
bonds (distance) C4'-P energy: -82.581
bonds (distance) P-C4' energy: -70.428
flat angles C4'-P-C4' energy: -84.380
flat angles P-C4'-P energy: -50.028
tors. eta vs tors. theta energy: -95.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1092.472817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.472817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.472817 (E_RNA)
where:
Base-Base interactions energy: -714.231
where: short stacking energy: -314.957
Base-Backbone interact. energy: -1.668
local terms energy: -376.573564
where:
bonds (distance) C4'-P energy: -67.069
bonds (distance) P-C4' energy: -71.924
flat angles C4'-P-C4' energy: -86.469
flat angles P-C4'-P energy: -51.724
tors. eta vs tors. theta energy: -99.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -928.534649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.534649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.534649 (E_RNA)
where:
Base-Base interactions energy: -587.300
where: short stacking energy: -262.243
Base-Backbone interact. energy: -1.827
local terms energy: -339.408220
where:
bonds (distance) C4'-P energy: -77.475
bonds (distance) P-C4' energy: -69.820
flat angles C4'-P-C4' energy: -74.713
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -69.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -811.738288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.738288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.738288 (E_RNA)
where:
Base-Base interactions energy: -524.720
where: short stacking energy: -250.066
Base-Backbone interact. energy: 1.312
local terms energy: -288.330309
where:
bonds (distance) C4'-P energy: -52.772
bonds (distance) P-C4' energy: -65.285
flat angles C4'-P-C4' energy: -70.807
flat angles P-C4'-P energy: -54.039
tors. eta vs tors. theta energy: -45.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -736.691322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.691322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.691322 (E_RNA)
where:
Base-Base interactions energy: -448.186
where: short stacking energy: -202.316
Base-Backbone interact. energy: -0.242
local terms energy: -288.263699
where:
bonds (distance) C4'-P energy: -69.713
bonds (distance) P-C4' energy: -58.596
flat angles C4'-P-C4' energy: -78.909
flat angles P-C4'-P energy: -41.649
tors. eta vs tors. theta energy: -39.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -625.661862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.661862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.661862 (E_RNA)
where:
Base-Base interactions energy: -354.964
where: short stacking energy: -176.208
Base-Backbone interact. energy: -1.085
local terms energy: -269.613080
where:
bonds (distance) C4'-P energy: -66.854
bonds (distance) P-C4' energy: -70.800
flat angles C4'-P-C4' energy: -60.543
flat angles P-C4'-P energy: -36.157
tors. eta vs tors. theta energy: -35.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -491.281377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.281377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.281377 (E_RNA)
where:
Base-Base interactions energy: -247.485
where: short stacking energy: -132.746
Base-Backbone interact. energy: 1.269
local terms energy: -245.065153
where:
bonds (distance) C4'-P energy: -48.730
bonds (distance) P-C4' energy: -67.752
flat angles C4'-P-C4' energy: -74.648
flat angles P-C4'-P energy: -44.505
tors. eta vs tors. theta energy: -9.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -309.307569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.307569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.307569 (E_RNA)
where:
Base-Base interactions energy: -112.716
where: short stacking energy: -91.043
Base-Backbone interact. energy: 2.470
local terms energy: -199.060750
where:
bonds (distance) C4'-P energy: -46.652
bonds (distance) P-C4' energy: -74.909
flat angles C4'-P-C4' energy: -48.769
flat angles P-C4'-P energy: -25.456
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1326.807549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.807549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.807549 (E_RNA)
where:
Base-Base interactions energy: -899.294
where: short stacking energy: -389.719
Base-Backbone interact. energy: 1.514
local terms energy: -429.026940
where:
bonds (distance) C4'-P energy: -79.937
bonds (distance) P-C4' energy: -86.480
flat angles C4'-P-C4' energy: -87.584
flat angles P-C4'-P energy: -57.497
tors. eta vs tors. theta energy: -117.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1260.855738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.855738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.855738 (E_RNA)
where:
Base-Base interactions energy: -829.626
where: short stacking energy: -346.526
Base-Backbone interact. energy: -2.620
local terms energy: -428.609608
where:
bonds (distance) C4'-P energy: -89.827
bonds (distance) P-C4' energy: -94.293
flat angles C4'-P-C4' energy: -83.365
flat angles P-C4'-P energy: -60.627
tors. eta vs tors. theta energy: -100.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1195.344690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.344690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.344690 (E_RNA)
where:
Base-Base interactions energy: -792.562
where: short stacking energy: -328.975
Base-Backbone interact. energy: -3.227
local terms energy: -399.555303
where:
bonds (distance) C4'-P energy: -74.947
bonds (distance) P-C4' energy: -89.149
flat angles C4'-P-C4' energy: -81.741
flat angles P-C4'-P energy: -51.927
tors. eta vs tors. theta energy: -101.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1085.471072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.471072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.471072 (E_RNA)
where:
Base-Base interactions energy: -711.575
where: short stacking energy: -320.322
Base-Backbone interact. energy: 1.583
local terms energy: -375.479606
where:
bonds (distance) C4'-P energy: -75.653
bonds (distance) P-C4' energy: -74.700
flat angles C4'-P-C4' energy: -81.071
flat angles P-C4'-P energy: -46.958
tors. eta vs tors. theta energy: -97.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -951.367558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.367558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.367558 (E_RNA)
where:
Base-Base interactions energy: -625.661
where: short stacking energy: -266.569
Base-Backbone interact. energy: -2.854
local terms energy: -322.852478
where:
bonds (distance) C4'-P energy: -70.607
bonds (distance) P-C4' energy: -65.696
flat angles C4'-P-C4' energy: -82.467
flat angles P-C4'-P energy: -36.705
tors. eta vs tors. theta energy: -67.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -830.111004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.111004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.111004 (E_RNA)
where:
Base-Base interactions energy: -504.466
where: short stacking energy: -236.416
Base-Backbone interact. energy: -0.580
local terms energy: -325.064358
where:
bonds (distance) C4'-P energy: -73.187
bonds (distance) P-C4' energy: -64.591
flat angles C4'-P-C4' energy: -75.072
flat angles P-C4'-P energy: -46.176
tors. eta vs tors. theta energy: -66.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -788.388386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.388386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.388386 (E_RNA)
where:
Base-Base interactions energy: -507.390
where: short stacking energy: -211.067
Base-Backbone interact. energy: 2.246
local terms energy: -283.244744
where:
bonds (distance) C4'-P energy: -56.995
bonds (distance) P-C4' energy: -62.703
flat angles C4'-P-C4' energy: -64.431
flat angles P-C4'-P energy: -50.479
tors. eta vs tors. theta energy: -48.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -560.401811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.401811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.401811 (E_RNA)
where:
Base-Base interactions energy: -304.425
where: short stacking energy: -161.088
Base-Backbone interact. energy: -1.775
local terms energy: -254.201470
where:
bonds (distance) C4'-P energy: -74.593
bonds (distance) P-C4' energy: -64.979
flat angles C4'-P-C4' energy: -63.950
flat angles P-C4'-P energy: -40.798
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -497.925153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.925153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.925153 (E_RNA)
where:
Base-Base interactions energy: -259.700
where: short stacking energy: -118.544
Base-Backbone interact. energy: -0.344
local terms energy: -237.880373
where:
bonds (distance) C4'-P energy: -61.978
bonds (distance) P-C4' energy: -79.572
flat angles C4'-P-C4' energy: -47.820
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -326.099999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.099999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.099999 (E_RNA)
where:
Base-Base interactions energy: -115.261
where: short stacking energy: -91.833
Base-Backbone interact. energy: 0.470
local terms energy: -211.309633
where:
bonds (distance) C4'-P energy: -58.583
bonds (distance) P-C4' energy: -56.848
flat angles C4'-P-C4' energy: -61.991
flat angles P-C4'-P energy: -40.339
tors. eta vs tors. theta energy: 6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1339.377685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.377685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.377685 (E_RNA)
where:
Base-Base interactions energy: -892.984
where: short stacking energy: -382.071
Base-Backbone interact. energy: -3.351
local terms energy: -443.042458
where:
bonds (distance) C4'-P energy: -76.099
bonds (distance) P-C4' energy: -85.299
flat angles C4'-P-C4' energy: -90.264
flat angles P-C4'-P energy: -66.642
tors. eta vs tors. theta energy: -124.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1244.343484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.343484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.343484 (E_RNA)
where:
Base-Base interactions energy: -841.981
where: short stacking energy: -336.237
Base-Backbone interact. energy: -2.229
local terms energy: -400.134034
where:
bonds (distance) C4'-P energy: -88.640
bonds (distance) P-C4' energy: -76.006
flat angles C4'-P-C4' energy: -77.646
flat angles P-C4'-P energy: -58.682
tors. eta vs tors. theta energy: -99.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1169.681931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.681931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.681931 (E_RNA)
where:
Base-Base interactions energy: -777.996
where: short stacking energy: -343.851
Base-Backbone interact. energy: -3.263
local terms energy: -388.422498
where:
bonds (distance) C4'-P energy: -74.711
bonds (distance) P-C4' energy: -78.913
flat angles C4'-P-C4' energy: -84.069
flat angles P-C4'-P energy: -52.895
tors. eta vs tors. theta energy: -97.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1057.889437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.889437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.889437 (E_RNA)
where:
Base-Base interactions energy: -708.171
where: short stacking energy: -311.727
Base-Backbone interact. energy: 1.267
local terms energy: -350.985826
where:
bonds (distance) C4'-P energy: -69.016
bonds (distance) P-C4' energy: -70.376
flat angles C4'-P-C4' energy: -70.593
flat angles P-C4'-P energy: -55.683
tors. eta vs tors. theta energy: -85.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -931.249221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.249221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.249221 (E_RNA)
where:
Base-Base interactions energy: -607.789
where: short stacking energy: -254.008
Base-Backbone interact. energy: -1.436
local terms energy: -322.023536
where:
bonds (distance) C4'-P energy: -75.016
bonds (distance) P-C4' energy: -57.208
flat angles C4'-P-C4' energy: -74.059
flat angles P-C4'-P energy: -44.768
tors. eta vs tors. theta energy: -70.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -840.728264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.728264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.728264 (E_RNA)
where:
Base-Base interactions energy: -542.068
where: short stacking energy: -252.049
Base-Backbone interact. energy: 1.391
local terms energy: -300.051043
where:
bonds (distance) C4'-P energy: -60.445
bonds (distance) P-C4' energy: -60.504
flat angles C4'-P-C4' energy: -74.430
flat angles P-C4'-P energy: -35.164
tors. eta vs tors. theta energy: -69.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -823.778558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.778558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.778558 (E_RNA)
where:
Base-Base interactions energy: -551.344
where: short stacking energy: -220.126
Base-Backbone interact. energy: 0.556
local terms energy: -272.991325
where:
bonds (distance) C4'-P energy: -55.175
bonds (distance) P-C4' energy: -59.884
flat angles C4'-P-C4' energy: -71.355
flat angles P-C4'-P energy: -36.626
tors. eta vs tors. theta energy: -49.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -589.728683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.728683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.728683 (E_RNA)
where:
Base-Base interactions energy: -336.118
where: short stacking energy: -170.910
Base-Backbone interact. energy: -1.099
local terms energy: -252.511340
where:
bonds (distance) C4'-P energy: -77.885
bonds (distance) P-C4' energy: -71.410
flat angles C4'-P-C4' energy: -43.988
flat angles P-C4'-P energy: -41.884
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -492.229330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.229330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.229330 (E_RNA)
where:
Base-Base interactions energy: -228.622
where: short stacking energy: -132.695
Base-Backbone interact. energy: -1.211
local terms energy: -262.396252
where:
bonds (distance) C4'-P energy: -77.160
bonds (distance) P-C4' energy: -72.333
flat angles C4'-P-C4' energy: -69.788
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -311.286368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.286368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.286368 (E_RNA)
where:
Base-Base interactions energy: -108.777
where: short stacking energy: -82.491
Base-Backbone interact. energy: 0.206
local terms energy: -202.715460
where:
bonds (distance) C4'-P energy: -60.369
bonds (distance) P-C4' energy: -67.699
flat angles C4'-P-C4' energy: -54.894
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: 5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1314.485045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.485045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.485045 (E_RNA)
where:
Base-Base interactions energy: -893.470
where: short stacking energy: -378.910
Base-Backbone interact. energy: -2.017
local terms energy: -418.997748
where:
bonds (distance) C4'-P energy: -76.678
bonds (distance) P-C4' energy: -72.845
flat angles C4'-P-C4' energy: -88.630
flat angles P-C4'-P energy: -62.915
tors. eta vs tors. theta energy: -117.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1255.796875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.796875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.796875 (E_RNA)
where:
Base-Base interactions energy: -851.879
where: short stacking energy: -362.548
Base-Backbone interact. energy: -3.187
local terms energy: -400.731082
where:
bonds (distance) C4'-P energy: -74.348
bonds (distance) P-C4' energy: -79.999
flat angles C4'-P-C4' energy: -87.985
flat angles P-C4'-P energy: -53.938
tors. eta vs tors. theta energy: -104.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1180.181820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.181820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.181820 (E_RNA)
where:
Base-Base interactions energy: -776.687
where: short stacking energy: -343.121
Base-Backbone interact. energy: -1.666
local terms energy: -401.828548
where:
bonds (distance) C4'-P energy: -80.651
bonds (distance) P-C4' energy: -72.495
flat angles C4'-P-C4' energy: -81.131
flat angles P-C4'-P energy: -60.702
tors. eta vs tors. theta energy: -106.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1064.806679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.806679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.806679 (E_RNA)
where:
Base-Base interactions energy: -703.572
where: short stacking energy: -328.299
Base-Backbone interact. energy: -0.616
local terms energy: -360.619076
where:
bonds (distance) C4'-P energy: -73.862
bonds (distance) P-C4' energy: -72.945
flat angles C4'-P-C4' energy: -79.024
flat angles P-C4'-P energy: -46.433
tors. eta vs tors. theta energy: -88.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -925.249365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.249365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.249365 (E_RNA)
where:
Base-Base interactions energy: -595.945
where: short stacking energy: -239.167
Base-Backbone interact. energy: -0.287
local terms energy: -329.018018
where:
bonds (distance) C4'-P energy: -58.517
bonds (distance) P-C4' energy: -83.972
flat angles C4'-P-C4' energy: -71.842
flat angles P-C4'-P energy: -52.912
tors. eta vs tors. theta energy: -61.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -818.702887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.702887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.702887 (E_RNA)
where:
Base-Base interactions energy: -523.680
where: short stacking energy: -223.672
Base-Backbone interact. energy: -2.068
local terms energy: -292.955117
where:
bonds (distance) C4'-P energy: -65.602
bonds (distance) P-C4' energy: -64.312
flat angles C4'-P-C4' energy: -64.665
flat angles P-C4'-P energy: -41.467
tors. eta vs tors. theta energy: -56.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -802.657437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.657437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.657437 (E_RNA)
where:
Base-Base interactions energy: -499.501
where: short stacking energy: -216.251
Base-Backbone interact. energy: 2.988
local terms energy: -306.143540
where:
bonds (distance) C4'-P energy: -72.430
bonds (distance) P-C4' energy: -81.787
flat angles C4'-P-C4' energy: -62.183
flat angles P-C4'-P energy: -46.662
tors. eta vs tors. theta energy: -43.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -599.022472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.022472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.022472 (E_RNA)
where:
Base-Base interactions energy: -315.988
where: short stacking energy: -171.417
Base-Backbone interact. energy: 1.099
local terms energy: -284.133401
where:
bonds (distance) C4'-P energy: -71.398
bonds (distance) P-C4' energy: -68.629
flat angles C4'-P-C4' energy: -71.951
flat angles P-C4'-P energy: -42.352
tors. eta vs tors. theta energy: -29.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -500.646817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.646817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.646817 (E_RNA)
where:
Base-Base interactions energy: -252.643
where: short stacking energy: -149.091
Base-Backbone interact. energy: 0.929
local terms energy: -248.933173
where:
bonds (distance) C4'-P energy: -62.492
bonds (distance) P-C4' energy: -80.368
flat angles C4'-P-C4' energy: -69.290
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -320.919798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.919798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.919798 (E_RNA)
where:
Base-Base interactions energy: -113.807
where: short stacking energy: -82.625
Base-Backbone interact. energy: -0.613
local terms energy: -206.500119
where:
bonds (distance) C4'-P energy: -72.306
bonds (distance) P-C4' energy: -57.551
flat angles C4'-P-C4' energy: -57.016
flat angles P-C4'-P energy: -36.451
tors. eta vs tors. theta energy: 16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1310.940525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.940525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.940525 (E_RNA)
where:
Base-Base interactions energy: -878.927
where: short stacking energy: -384.379
Base-Backbone interact. energy: -1.398
local terms energy: -430.615570
where:
bonds (distance) C4'-P energy: -92.039
bonds (distance) P-C4' energy: -85.271
flat angles C4'-P-C4' energy: -89.040
flat angles P-C4'-P energy: -47.263
tors. eta vs tors. theta energy: -117.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1253.823226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.823226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.823226 (E_RNA)
where:
Base-Base interactions energy: -865.724
where: short stacking energy: -338.964
Base-Backbone interact. energy: -0.152
local terms energy: -387.947040
where:
bonds (distance) C4'-P energy: -76.572
bonds (distance) P-C4' energy: -62.968
flat angles C4'-P-C4' energy: -89.051
flat angles P-C4'-P energy: -60.916
tors. eta vs tors. theta energy: -98.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1177.977245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.977245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.977245 (E_RNA)
where:
Base-Base interactions energy: -796.083
where: short stacking energy: -328.135
Base-Backbone interact. energy: -2.451
local terms energy: -379.443219
where:
bonds (distance) C4'-P energy: -80.368
bonds (distance) P-C4' energy: -72.581
flat angles C4'-P-C4' energy: -86.395
flat angles P-C4'-P energy: -44.025
tors. eta vs tors. theta energy: -96.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1085.788101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.788101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.788101 (E_RNA)
where:
Base-Base interactions energy: -722.068
where: short stacking energy: -304.907
Base-Backbone interact. energy: -3.284
local terms energy: -360.435702
where:
bonds (distance) C4'-P energy: -65.460
bonds (distance) P-C4' energy: -83.051
flat angles C4'-P-C4' energy: -78.207
flat angles P-C4'-P energy: -50.561
tors. eta vs tors. theta energy: -83.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -946.577103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.577103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.577103 (E_RNA)
where:
Base-Base interactions energy: -607.618
where: short stacking energy: -286.416
Base-Backbone interact. energy: -0.716
local terms energy: -338.242729
where:
bonds (distance) C4'-P energy: -63.312
bonds (distance) P-C4' energy: -67.119
flat angles C4'-P-C4' energy: -74.995
flat angles P-C4'-P energy: -56.445
tors. eta vs tors. theta energy: -76.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -840.159634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.159634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.159634 (E_RNA)
where:
Base-Base interactions energy: -530.465
where: short stacking energy: -236.099
Base-Backbone interact. energy: -1.255
local terms energy: -308.439155
where:
bonds (distance) C4'-P energy: -73.145
bonds (distance) P-C4' energy: -59.662
flat angles C4'-P-C4' energy: -76.299
flat angles P-C4'-P energy: -41.922
tors. eta vs tors. theta energy: -57.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -803.059028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.059028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.059028 (E_RNA)
where:
Base-Base interactions energy: -506.079
where: short stacking energy: -213.094
Base-Backbone interact. energy: 3.920
local terms energy: -300.899334
where:
bonds (distance) C4'-P energy: -62.446
bonds (distance) P-C4' energy: -58.580
flat angles C4'-P-C4' energy: -69.288
flat angles P-C4'-P energy: -59.962
tors. eta vs tors. theta energy: -50.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -606.561793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.561793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.561793 (E_RNA)
where:
Base-Base interactions energy: -327.910
where: short stacking energy: -155.700
Base-Backbone interact. energy: 0.135
local terms energy: -278.786691
where:
bonds (distance) C4'-P energy: -59.526
bonds (distance) P-C4' energy: -81.076
flat angles C4'-P-C4' energy: -67.672
flat angles P-C4'-P energy: -49.780
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -533.064074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.064074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.064074 (E_RNA)
where:
Base-Base interactions energy: -286.831
where: short stacking energy: -164.615
Base-Backbone interact. energy: -0.795
local terms energy: -245.438224
where:
bonds (distance) C4'-P energy: -63.150
bonds (distance) P-C4' energy: -60.519
flat angles C4'-P-C4' energy: -64.842
flat angles P-C4'-P energy: -27.124
tors. eta vs tors. theta energy: -29.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -306.763535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.763535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.763535 (E_RNA)
where:
Base-Base interactions energy: -105.546
where: short stacking energy: -87.018
Base-Backbone interact. energy: 2.959
local terms energy: -204.176210
where:
bonds (distance) C4'-P energy: -73.556
bonds (distance) P-C4' energy: -65.673
flat angles C4'-P-C4' energy: -51.164
flat angles P-C4'-P energy: -26.878
tors. eta vs tors. theta energy: 13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1343.824306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.824306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.824306 (E_RNA)
where:
Base-Base interactions energy: -884.987
where: short stacking energy: -392.130
Base-Backbone interact. energy: 2.361
local terms energy: -461.198898
where:
bonds (distance) C4'-P energy: -91.182
bonds (distance) P-C4' energy: -87.254
flat angles C4'-P-C4' energy: -98.768
flat angles P-C4'-P energy: -60.292
tors. eta vs tors. theta energy: -123.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1241.233602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.233602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.233602 (E_RNA)
where:
Base-Base interactions energy: -837.423
where: short stacking energy: -356.980
Base-Backbone interact. energy: -1.719
local terms energy: -402.091756
where:
bonds (distance) C4'-P energy: -78.833
bonds (distance) P-C4' energy: -76.321
flat angles C4'-P-C4' energy: -83.595
flat angles P-C4'-P energy: -56.926
tors. eta vs tors. theta energy: -106.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1157.463781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.463781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.463781 (E_RNA)
where:
Base-Base interactions energy: -770.564
where: short stacking energy: -325.699
Base-Backbone interact. energy: -0.979
local terms energy: -385.921615
where:
bonds (distance) C4'-P energy: -69.594
bonds (distance) P-C4' energy: -78.060
flat angles C4'-P-C4' energy: -88.645
flat angles P-C4'-P energy: -45.214
tors. eta vs tors. theta energy: -104.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1087.863465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.863465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.863465 (E_RNA)
where:
Base-Base interactions energy: -721.276
where: short stacking energy: -313.891
Base-Backbone interact. energy: 1.328
local terms energy: -367.915747
where:
bonds (distance) C4'-P energy: -63.806
bonds (distance) P-C4' energy: -89.565
flat angles C4'-P-C4' energy: -80.466
flat angles P-C4'-P energy: -42.462
tors. eta vs tors. theta energy: -91.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -993.777529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.777529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.777529 (E_RNA)
where:
Base-Base interactions energy: -630.900
where: short stacking energy: -282.511
Base-Backbone interact. energy: -2.610
local terms energy: -360.267575
where:
bonds (distance) C4'-P energy: -65.524
bonds (distance) P-C4' energy: -84.207
flat angles C4'-P-C4' energy: -81.552
flat angles P-C4'-P energy: -50.911
tors. eta vs tors. theta energy: -78.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -838.933907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.933907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.933907 (E_RNA)
where:
Base-Base interactions energy: -494.372
where: short stacking energy: -230.351
Base-Backbone interact. energy: -0.636
local terms energy: -343.925150
where:
bonds (distance) C4'-P energy: -73.739
bonds (distance) P-C4' energy: -76.034
flat angles C4'-P-C4' energy: -72.427
flat angles P-C4'-P energy: -59.658
tors. eta vs tors. theta energy: -62.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -701.041069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.041069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.041069 (E_RNA)
where:
Base-Base interactions energy: -432.303
where: short stacking energy: -201.710
Base-Backbone interact. energy: -1.437
local terms energy: -267.301637
where:
bonds (distance) C4'-P energy: -66.594
bonds (distance) P-C4' energy: -71.178
flat angles C4'-P-C4' energy: -67.196
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -36.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -616.321897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.321897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.321897 (E_RNA)
where:
Base-Base interactions energy: -341.091
where: short stacking energy: -174.486
Base-Backbone interact. energy: -0.256
local terms energy: -274.975045
where:
bonds (distance) C4'-P energy: -69.691
bonds (distance) P-C4' energy: -72.085
flat angles C4'-P-C4' energy: -68.950
flat angles P-C4'-P energy: -39.006
tors. eta vs tors. theta energy: -25.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -490.460764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.460764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.460764 (E_RNA)
where:
Base-Base interactions energy: -239.394
where: short stacking energy: -127.046
Base-Backbone interact. energy: -0.173
local terms energy: -250.894049
where:
bonds (distance) C4'-P energy: -75.172
bonds (distance) P-C4' energy: -61.090
flat angles C4'-P-C4' energy: -66.271
flat angles P-C4'-P energy: -31.601
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -339.342977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.342977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.342977 (E_RNA)
where:
Base-Base interactions energy: -151.487
where: short stacking energy: -77.043
Base-Backbone interact. energy: 6.948
local terms energy: -194.804878
where:
bonds (distance) C4'-P energy: -65.843
bonds (distance) P-C4' energy: -56.712
flat angles C4'-P-C4' energy: -41.997
flat angles P-C4'-P energy: -42.120
tors. eta vs tors. theta energy: 11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1338.256233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.256233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.256233 (E_RNA)
where:
Base-Base interactions energy: -911.609
where: short stacking energy: -383.925
Base-Backbone interact. energy: -1.524
local terms energy: -425.123665
where:
bonds (distance) C4'-P energy: -81.605
bonds (distance) P-C4' energy: -80.532
flat angles C4'-P-C4' energy: -89.975
flat angles P-C4'-P energy: -60.104
tors. eta vs tors. theta energy: -112.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1244.805901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.805901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.805901 (E_RNA)
where:
Base-Base interactions energy: -844.173
where: short stacking energy: -369.755
Base-Backbone interact. energy: -2.935
local terms energy: -397.698400
where:
bonds (distance) C4'-P energy: -73.282
bonds (distance) P-C4' energy: -80.439
flat angles C4'-P-C4' energy: -91.582
flat angles P-C4'-P energy: -52.846
tors. eta vs tors. theta energy: -99.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1154.270217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.270217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.270217 (E_RNA)
where:
Base-Base interactions energy: -766.662
where: short stacking energy: -339.596
Base-Backbone interact. energy: 2.129
local terms energy: -389.737126
where:
bonds (distance) C4'-P energy: -72.894
bonds (distance) P-C4' energy: -81.260
flat angles C4'-P-C4' energy: -93.661
flat angles P-C4'-P energy: -46.807
tors. eta vs tors. theta energy: -95.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1076.716176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.716176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.716176 (E_RNA)
where:
Base-Base interactions energy: -684.179
where: short stacking energy: -297.628
Base-Backbone interact. energy: -3.156
local terms energy: -389.380825
where:
bonds (distance) C4'-P energy: -79.148
bonds (distance) P-C4' energy: -79.260
flat angles C4'-P-C4' energy: -80.532
flat angles P-C4'-P energy: -61.785
tors. eta vs tors. theta energy: -88.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -979.295453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.295453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.295453 (E_RNA)
where:
Base-Base interactions energy: -637.884
where: short stacking energy: -280.132
Base-Backbone interact. energy: -3.458
local terms energy: -337.953481
where:
bonds (distance) C4'-P energy: -73.457
bonds (distance) P-C4' energy: -67.927
flat angles C4'-P-C4' energy: -83.561
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: -79.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -831.950711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.950711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.950711 (E_RNA)
where:
Base-Base interactions energy: -530.628
where: short stacking energy: -259.317
Base-Backbone interact. energy: 4.292
local terms energy: -305.614406
where:
bonds (distance) C4'-P energy: -69.720
bonds (distance) P-C4' energy: -79.377
flat angles C4'-P-C4' energy: -65.938
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: -55.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -749.655816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.655816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.655816 (E_RNA)
where:
Base-Base interactions energy: -452.640
where: short stacking energy: -222.217
Base-Backbone interact. energy: -1.799
local terms energy: -295.217172
where:
bonds (distance) C4'-P energy: -75.226
bonds (distance) P-C4' energy: -62.238
flat angles C4'-P-C4' energy: -63.502
flat angles P-C4'-P energy: -42.185
tors. eta vs tors. theta energy: -52.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -657.806507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.806507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.806507 (E_RNA)
where:
Base-Base interactions energy: -402.967
where: short stacking energy: -181.544
Base-Backbone interact. energy: -1.368
local terms energy: -253.471707
where:
bonds (distance) C4'-P energy: -58.147
bonds (distance) P-C4' energy: -57.611
flat angles C4'-P-C4' energy: -66.781
flat angles P-C4'-P energy: -41.423
tors. eta vs tors. theta energy: -29.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -540.696366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.696366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.696366 (E_RNA)
where:
Base-Base interactions energy: -291.268
where: short stacking energy: -139.716
Base-Backbone interact. energy: 2.283
local terms energy: -251.711437
where:
bonds (distance) C4'-P energy: -62.447
bonds (distance) P-C4' energy: -72.317
flat angles C4'-P-C4' energy: -70.256
flat angles P-C4'-P energy: -39.748
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -383.116129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.116129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.116129 (E_RNA)
where:
Base-Base interactions energy: -170.144
where: short stacking energy: -104.353
Base-Backbone interact. energy: 2.574
local terms energy: -215.545220
where:
bonds (distance) C4'-P energy: -61.056
bonds (distance) P-C4' energy: -58.122
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -40.270
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1323.788626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.788626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.788626 (E_RNA)
where:
Base-Base interactions energy: -892.764
where: short stacking energy: -384.933
Base-Backbone interact. energy: -1.237
local terms energy: -429.788272
where:
bonds (distance) C4'-P energy: -72.300
bonds (distance) P-C4' energy: -84.465
flat angles C4'-P-C4' energy: -95.712
flat angles P-C4'-P energy: -57.970
tors. eta vs tors. theta energy: -119.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1255.641892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.641892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.641892 (E_RNA)
where:
Base-Base interactions energy: -849.653
where: short stacking energy: -365.602
Base-Backbone interact. energy: -0.342
local terms energy: -405.647172
where:
bonds (distance) C4'-P energy: -75.169
bonds (distance) P-C4' energy: -75.065
flat angles C4'-P-C4' energy: -87.283
flat angles P-C4'-P energy: -64.852
tors. eta vs tors. theta energy: -103.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1181.375741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.375741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.375741 (E_RNA)
where:
Base-Base interactions energy: -779.631
where: short stacking energy: -325.404
Base-Backbone interact. energy: -2.549
local terms energy: -399.196312
where:
bonds (distance) C4'-P energy: -84.782
bonds (distance) P-C4' energy: -79.977
flat angles C4'-P-C4' energy: -88.866
flat angles P-C4'-P energy: -54.491
tors. eta vs tors. theta energy: -91.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1106.271727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.271727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.271727 (E_RNA)
where:
Base-Base interactions energy: -742.518
where: short stacking energy: -315.544
Base-Backbone interact. energy: -2.371
local terms energy: -361.382196
where:
bonds (distance) C4'-P energy: -76.778
bonds (distance) P-C4' energy: -66.389
flat angles C4'-P-C4' energy: -78.707
flat angles P-C4'-P energy: -46.470
tors. eta vs tors. theta energy: -93.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1005.578281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.578281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.578281 (E_RNA)
where:
Base-Base interactions energy: -639.194
where: short stacking energy: -282.136
Base-Backbone interact. energy: -2.557
local terms energy: -363.826945
where:
bonds (distance) C4'-P energy: -71.131
bonds (distance) P-C4' energy: -84.912
flat angles C4'-P-C4' energy: -79.678
flat angles P-C4'-P energy: -49.022
tors. eta vs tors. theta energy: -79.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -835.770652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.770652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.770652 (E_RNA)
where:
Base-Base interactions energy: -507.619
where: short stacking energy: -243.428
Base-Backbone interact. energy: -1.184
local terms energy: -326.967930
where:
bonds (distance) C4'-P energy: -55.305
bonds (distance) P-C4' energy: -79.107
flat angles C4'-P-C4' energy: -73.412
flat angles P-C4'-P energy: -45.313
tors. eta vs tors. theta energy: -73.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -707.630322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.630322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.630322 (E_RNA)
where:
Base-Base interactions energy: -416.302
where: short stacking energy: -191.531
Base-Backbone interact. energy: -0.419
local terms energy: -290.909721
where:
bonds (distance) C4'-P energy: -62.463
bonds (distance) P-C4' energy: -75.066
flat angles C4'-P-C4' energy: -72.111
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -40.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -563.838684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.838684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.838684 (E_RNA)
where:
Base-Base interactions energy: -310.936
where: short stacking energy: -160.837
Base-Backbone interact. energy: 2.212
local terms energy: -255.114200
where:
bonds (distance) C4'-P energy: -64.068
bonds (distance) P-C4' energy: -78.432
flat angles C4'-P-C4' energy: -58.727
flat angles P-C4'-P energy: -40.228
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -523.928490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.928490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.928490 (E_RNA)
where:
Base-Base interactions energy: -277.572
where: short stacking energy: -142.498
Base-Backbone interact. energy: -1.570
local terms energy: -244.786889
where:
bonds (distance) C4'-P energy: -57.762
bonds (distance) P-C4' energy: -65.927
flat angles C4'-P-C4' energy: -60.649
flat angles P-C4'-P energy: -31.430
tors. eta vs tors. theta energy: -29.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -391.049950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.049950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.049950 (E_RNA)
where:
Base-Base interactions energy: -148.237
where: short stacking energy: -95.669
Base-Backbone interact. energy: -2.539
local terms energy: -240.273644
where:
bonds (distance) C4'-P energy: -71.783
bonds (distance) P-C4' energy: -65.423
flat angles C4'-P-C4' energy: -61.254
flat angles P-C4'-P energy: -44.597
tors. eta vs tors. theta energy: 2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1348.860965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.860965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.860965 (E_RNA)
where:
Base-Base interactions energy: -929.850
where: short stacking energy: -383.820
Base-Backbone interact. energy: 4.838
local terms energy: -423.849104
where:
bonds (distance) C4'-P energy: -78.416
bonds (distance) P-C4' energy: -85.124
flat angles C4'-P-C4' energy: -81.934
flat angles P-C4'-P energy: -63.958
tors. eta vs tors. theta energy: -114.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1261.416905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.416905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.416905 (E_RNA)
where:
Base-Base interactions energy: -867.586
where: short stacking energy: -368.807
Base-Backbone interact. energy: -2.308
local terms energy: -391.522850
where:
bonds (distance) C4'-P energy: -57.267
bonds (distance) P-C4' energy: -79.572
flat angles C4'-P-C4' energy: -89.976
flat angles P-C4'-P energy: -64.076
tors. eta vs tors. theta energy: -100.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1162.975437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.975437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.975437 (E_RNA)
where:
Base-Base interactions energy: -770.301
where: short stacking energy: -316.134
Base-Backbone interact. energy: -3.357
local terms energy: -389.317267
where:
bonds (distance) C4'-P energy: -78.853
bonds (distance) P-C4' energy: -78.429
flat angles C4'-P-C4' energy: -81.843
flat angles P-C4'-P energy: -54.220
tors. eta vs tors. theta energy: -95.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1106.789815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.789815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.789815 (E_RNA)
where:
Base-Base interactions energy: -742.004
where: short stacking energy: -304.238
Base-Backbone interact. energy: -3.602
local terms energy: -361.183846
where:
bonds (distance) C4'-P energy: -65.886
bonds (distance) P-C4' energy: -76.272
flat angles C4'-P-C4' energy: -83.907
flat angles P-C4'-P energy: -47.831
tors. eta vs tors. theta energy: -87.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1012.391648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.391648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.391648 (E_RNA)
where:
Base-Base interactions energy: -655.068
where: short stacking energy: -293.947
Base-Backbone interact. energy: -2.766
local terms energy: -354.557880
where:
bonds (distance) C4'-P energy: -73.343
bonds (distance) P-C4' energy: -77.771
flat angles C4'-P-C4' energy: -70.375
flat angles P-C4'-P energy: -45.631
tors. eta vs tors. theta energy: -87.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -808.573781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.573781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.573781 (E_RNA)
where:
Base-Base interactions energy: -494.365
where: short stacking energy: -227.411
Base-Backbone interact. energy: -1.027
local terms energy: -313.181415
where:
bonds (distance) C4'-P energy: -65.525
bonds (distance) P-C4' energy: -71.765
flat angles C4'-P-C4' energy: -78.523
flat angles P-C4'-P energy: -44.400
tors. eta vs tors. theta energy: -52.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -707.816982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.816982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.816982 (E_RNA)
where:
Base-Base interactions energy: -416.300
where: short stacking energy: -212.644
Base-Backbone interact. energy: 0.838
local terms energy: -292.355485
where:
bonds (distance) C4'-P energy: -75.197
bonds (distance) P-C4' energy: -64.053
flat angles C4'-P-C4' energy: -73.586
flat angles P-C4'-P energy: -36.606
tors. eta vs tors. theta energy: -42.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -615.634834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.634834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.634834 (E_RNA)
where:
Base-Base interactions energy: -351.511
where: short stacking energy: -160.295
Base-Backbone interact. energy: -1.908
local terms energy: -262.216020
where:
bonds (distance) C4'-P energy: -60.256
bonds (distance) P-C4' energy: -77.101
flat angles C4'-P-C4' energy: -64.966
flat angles P-C4'-P energy: -43.016
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -478.503300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.503300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.503300 (E_RNA)
where:
Base-Base interactions energy: -259.688
where: short stacking energy: -151.183
Base-Backbone interact. energy: 1.624
local terms energy: -220.439723
where:
bonds (distance) C4'-P energy: -59.453
bonds (distance) P-C4' energy: -59.691
flat angles C4'-P-C4' energy: -50.939
flat angles P-C4'-P energy: -31.785
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -350.286563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.286563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.286563 (E_RNA)
where:
Base-Base interactions energy: -155.407
where: short stacking energy: -114.905
Base-Backbone interact. energy: 2.835
local terms energy: -197.715075
where:
bonds (distance) C4'-P energy: -44.035
bonds (distance) P-C4' energy: -68.580
flat angles C4'-P-C4' energy: -66.934
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: 7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1349.305172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.305172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.305172 (E_RNA)
where:
Base-Base interactions energy: -918.255
where: short stacking energy: -371.912
Base-Backbone interact. energy: -1.688
local terms energy: -429.361540
where:
bonds (distance) C4'-P energy: -72.273
bonds (distance) P-C4' energy: -72.838
flat angles C4'-P-C4' energy: -93.577
flat angles P-C4'-P energy: -72.406
tors. eta vs tors. theta energy: -118.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1212.195389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.195389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.195389 (E_RNA)
where:
Base-Base interactions energy: -822.444
where: short stacking energy: -352.374
Base-Backbone interact. energy: -2.107
local terms energy: -387.644668
where:
bonds (distance) C4'-P energy: -78.512
bonds (distance) P-C4' energy: -74.564
flat angles C4'-P-C4' energy: -84.592
flat angles P-C4'-P energy: -50.011
tors. eta vs tors. theta energy: -99.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1168.624455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.624455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.624455 (E_RNA)
where:
Base-Base interactions energy: -791.370
where: short stacking energy: -341.107
Base-Backbone interact. energy: -2.410
local terms energy: -374.843648
where:
bonds (distance) C4'-P energy: -64.604
bonds (distance) P-C4' energy: -66.073
flat angles C4'-P-C4' energy: -85.061
flat angles P-C4'-P energy: -58.891
tors. eta vs tors. theta energy: -100.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1068.611337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.611337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.611337 (E_RNA)
where:
Base-Base interactions energy: -693.238
where: short stacking energy: -326.600
Base-Backbone interact. energy: -2.353
local terms energy: -373.020342
where:
bonds (distance) C4'-P energy: -70.335
bonds (distance) P-C4' energy: -70.322
flat angles C4'-P-C4' energy: -76.714
flat angles P-C4'-P energy: -54.545
tors. eta vs tors. theta energy: -101.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1066.562195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.562195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.562195 (E_RNA)
where:
Base-Base interactions energy: -711.442
where: short stacking energy: -290.575
Base-Backbone interact. energy: 1.287
local terms energy: -356.407076
where:
bonds (distance) C4'-P energy: -82.440
bonds (distance) P-C4' energy: -74.075
flat angles C4'-P-C4' energy: -79.135
flat angles P-C4'-P energy: -48.931
tors. eta vs tors. theta energy: -71.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -823.764813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.764813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.764813 (E_RNA)
where:
Base-Base interactions energy: -514.093
where: short stacking energy: -230.966
Base-Backbone interact. energy: -1.050
local terms energy: -308.621991
where:
bonds (distance) C4'-P energy: -67.036
bonds (distance) P-C4' energy: -72.681
flat angles C4'-P-C4' energy: -73.764
flat angles P-C4'-P energy: -32.937
tors. eta vs tors. theta energy: -62.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -711.521526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.521526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.521526 (E_RNA)
where:
Base-Base interactions energy: -433.427
where: short stacking energy: -214.297
Base-Backbone interact. energy: -0.790
local terms energy: -277.304400
where:
bonds (distance) C4'-P energy: -78.010
bonds (distance) P-C4' energy: -59.266
flat angles C4'-P-C4' energy: -63.672
flat angles P-C4'-P energy: -36.022
tors. eta vs tors. theta energy: -40.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -630.756777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.756777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.756777 (E_RNA)
where:
Base-Base interactions energy: -345.691
where: short stacking energy: -155.692
Base-Backbone interact. energy: 2.953
local terms energy: -288.019360
where:
bonds (distance) C4'-P energy: -66.468
bonds (distance) P-C4' energy: -80.008
flat angles C4'-P-C4' energy: -69.442
flat angles P-C4'-P energy: -47.099
tors. eta vs tors. theta energy: -25.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -528.228045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.228045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.228045 (E_RNA)
where:
Base-Base interactions energy: -279.894
where: short stacking energy: -151.057
Base-Backbone interact. energy: 1.566
local terms energy: -249.899630
where:
bonds (distance) C4'-P energy: -59.129
bonds (distance) P-C4' energy: -65.370
flat angles C4'-P-C4' energy: -59.454
flat angles P-C4'-P energy: -40.643
tors. eta vs tors. theta energy: -25.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -373.536960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.536960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.536960 (E_RNA)
where:
Base-Base interactions energy: -184.700
where: short stacking energy: -90.817
Base-Backbone interact. energy: 0.347
local terms energy: -189.184464
where:
bonds (distance) C4'-P energy: -54.949
bonds (distance) P-C4' energy: -60.942
flat angles C4'-P-C4' energy: -55.709
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: 4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1367.706777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.706777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.706777 (E_RNA)
where:
Base-Base interactions energy: -949.344
where: short stacking energy: -400.876
Base-Backbone interact. energy: -5.576
local terms energy: -412.786376
where:
bonds (distance) C4'-P energy: -73.405
bonds (distance) P-C4' energy: -79.244
flat angles C4'-P-C4' energy: -89.651
flat angles P-C4'-P energy: -56.450
tors. eta vs tors. theta energy: -114.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1257.527907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.527907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.527907 (E_RNA)
where:
Base-Base interactions energy: -855.299
where: short stacking energy: -368.844
Base-Backbone interact. energy: -0.728
local terms energy: -401.500663
where:
bonds (distance) C4'-P energy: -82.267
bonds (distance) P-C4' energy: -73.960
flat angles C4'-P-C4' energy: -81.379
flat angles P-C4'-P energy: -63.138
tors. eta vs tors. theta energy: -100.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1185.496301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.496301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.496301 (E_RNA)
where:
Base-Base interactions energy: -802.547
where: short stacking energy: -334.758
Base-Backbone interact. energy: -2.312
local terms energy: -380.637210
where:
bonds (distance) C4'-P energy: -71.808
bonds (distance) P-C4' energy: -74.972
flat angles C4'-P-C4' energy: -81.808
flat angles P-C4'-P energy: -51.782
tors. eta vs tors. theta energy: -100.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1042.906983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.906983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.906983 (E_RNA)
where:
Base-Base interactions energy: -666.617
where: short stacking energy: -308.060
Base-Backbone interact. energy: -0.707
local terms energy: -375.583298
where:
bonds (distance) C4'-P energy: -72.923
bonds (distance) P-C4' energy: -84.270
flat angles C4'-P-C4' energy: -81.862
flat angles P-C4'-P energy: -58.250
tors. eta vs tors. theta energy: -78.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1048.992324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.992324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.992324 (E_RNA)
where:
Base-Base interactions energy: -694.729
where: short stacking energy: -290.389
Base-Backbone interact. energy: 3.697
local terms energy: -357.959411
where:
bonds (distance) C4'-P energy: -65.975
bonds (distance) P-C4' energy: -63.449
flat angles C4'-P-C4' energy: -86.614
flat angles P-C4'-P energy: -61.161
tors. eta vs tors. theta energy: -80.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -899.966443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.966443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.966443 (E_RNA)
where:
Base-Base interactions energy: -582.354
where: short stacking energy: -267.470
Base-Backbone interact. energy: -0.492
local terms energy: -317.121373
where:
bonds (distance) C4'-P energy: -70.216
bonds (distance) P-C4' energy: -65.008
flat angles C4'-P-C4' energy: -69.559
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -70.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -845.255565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.255565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.255565 (E_RNA)
where:
Base-Base interactions energy: -521.703
where: short stacking energy: -240.634
Base-Backbone interact. energy: -0.017
local terms energy: -323.535715
where:
bonds (distance) C4'-P energy: -69.319
bonds (distance) P-C4' energy: -71.759
flat angles C4'-P-C4' energy: -68.577
flat angles P-C4'-P energy: -50.581
tors. eta vs tors. theta energy: -63.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -520.474744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.474744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.474744 (E_RNA)
where:
Base-Base interactions energy: -274.279
where: short stacking energy: -174.201
Base-Backbone interact. energy: 3.540
local terms energy: -249.735356
where:
bonds (distance) C4'-P energy: -61.884
bonds (distance) P-C4' energy: -60.432
flat angles C4'-P-C4' energy: -60.296
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: -27.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -506.072977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.072977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.072977 (E_RNA)
where:
Base-Base interactions energy: -265.474
where: short stacking energy: -124.664
Base-Backbone interact. energy: 1.651
local terms energy: -242.250122
where:
bonds (distance) C4'-P energy: -76.130
bonds (distance) P-C4' energy: -60.628
flat angles C4'-P-C4' energy: -56.736
flat angles P-C4'-P energy: -34.682
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -383.283060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.283060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.283060 (E_RNA)
where:
Base-Base interactions energy: -176.798
where: short stacking energy: -92.553
Base-Backbone interact. energy: -2.010
local terms energy: -204.475524
where:
bonds (distance) C4'-P energy: -52.675
bonds (distance) P-C4' energy: -68.639
flat angles C4'-P-C4' energy: -56.417
flat angles P-C4'-P energy: -35.298
tors. eta vs tors. theta energy: 8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1337.267752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.267752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.267752 (E_RNA)
where:
Base-Base interactions energy: -913.107
where: short stacking energy: -382.232
Base-Backbone interact. energy: -2.064
local terms energy: -422.097015
where:
bonds (distance) C4'-P energy: -83.472
bonds (distance) P-C4' energy: -73.652
flat angles C4'-P-C4' energy: -85.320
flat angles P-C4'-P energy: -61.047
tors. eta vs tors. theta energy: -118.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1246.354426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.354426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.354426 (E_RNA)
where:
Base-Base interactions energy: -868.887
where: short stacking energy: -357.063
Base-Backbone interact. energy: -0.844
local terms energy: -376.623931
where:
bonds (distance) C4'-P energy: -58.777
bonds (distance) P-C4' energy: -82.320
flat angles C4'-P-C4' energy: -82.374
flat angles P-C4'-P energy: -56.692
tors. eta vs tors. theta energy: -96.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1181.153795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.153795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.153795 (E_RNA)
where:
Base-Base interactions energy: -792.586
where: short stacking energy: -342.801
Base-Backbone interact. energy: 0.099
local terms energy: -388.666956
where:
bonds (distance) C4'-P energy: -70.311
bonds (distance) P-C4' energy: -73.967
flat angles C4'-P-C4' energy: -87.291
flat angles P-C4'-P energy: -54.982
tors. eta vs tors. theta energy: -102.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1061.937423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.937423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.937423 (E_RNA)
where:
Base-Base interactions energy: -701.769
where: short stacking energy: -297.559
Base-Backbone interact. energy: -1.510
local terms energy: -358.657875
where:
bonds (distance) C4'-P energy: -63.135
bonds (distance) P-C4' energy: -72.399
flat angles C4'-P-C4' energy: -76.829
flat angles P-C4'-P energy: -56.240
tors. eta vs tors. theta energy: -90.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1038.614422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.614422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.614422 (E_RNA)
where:
Base-Base interactions energy: -691.675
where: short stacking energy: -300.877
Base-Backbone interact. energy: -1.939
local terms energy: -345.000729
where:
bonds (distance) C4'-P energy: -70.106
bonds (distance) P-C4' energy: -71.166
flat angles C4'-P-C4' energy: -81.850
flat angles P-C4'-P energy: -39.320
tors. eta vs tors. theta energy: -82.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -915.347907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.347907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.347907 (E_RNA)
where:
Base-Base interactions energy: -584.213
where: short stacking energy: -279.538
Base-Backbone interact. energy: -1.244
local terms energy: -329.890622
where:
bonds (distance) C4'-P energy: -56.215
bonds (distance) P-C4' energy: -64.763
flat angles C4'-P-C4' energy: -72.947
flat angles P-C4'-P energy: -49.672
tors. eta vs tors. theta energy: -86.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -846.768777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.768777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.768777 (E_RNA)
where:
Base-Base interactions energy: -542.314
where: short stacking energy: -255.045
Base-Backbone interact. energy: 1.111
local terms energy: -305.566105
where:
bonds (distance) C4'-P energy: -62.538
bonds (distance) P-C4' energy: -55.874
flat angles C4'-P-C4' energy: -71.441
flat angles P-C4'-P energy: -52.216
tors. eta vs tors. theta energy: -63.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -490.682794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.682794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.682794 (E_RNA)
where:
Base-Base interactions energy: -239.486
where: short stacking energy: -115.716
Base-Backbone interact. energy: -1.169
local terms energy: -250.027364
where:
bonds (distance) C4'-P energy: -53.223
bonds (distance) P-C4' energy: -70.455
flat angles C4'-P-C4' energy: -66.369
flat angles P-C4'-P energy: -49.969
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -465.221058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.221058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.221058 (E_RNA)
where:
Base-Base interactions energy: -242.479
where: short stacking energy: -130.332
Base-Backbone interact. energy: -1.917
local terms energy: -220.825296
where:
bonds (distance) C4'-P energy: -57.510
bonds (distance) P-C4' energy: -60.690
flat angles C4'-P-C4' energy: -62.517
flat angles P-C4'-P energy: -32.730
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -292.716556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.716556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.716556 (E_RNA)
where:
Base-Base interactions energy: -112.757
where: short stacking energy: -86.689
Base-Backbone interact. energy: -2.475
local terms energy: -177.484422
where:
bonds (distance) C4'-P energy: -64.208
bonds (distance) P-C4' energy: -59.035
flat angles C4'-P-C4' energy: -54.486
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: 16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1336.575151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.575151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.575151 (E_RNA)
where:
Base-Base interactions energy: -918.799
where: short stacking energy: -393.404
Base-Backbone interact. energy: -1.128
local terms energy: -416.647525
where:
bonds (distance) C4'-P energy: -77.236
bonds (distance) P-C4' energy: -79.160
flat angles C4'-P-C4' energy: -87.857
flat angles P-C4'-P energy: -60.474
tors. eta vs tors. theta energy: -111.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1235.848663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.848663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.848663 (E_RNA)
where:
Base-Base interactions energy: -837.341
where: short stacking energy: -375.607
Base-Backbone interact. energy: -3.014
local terms energy: -395.493480
where:
bonds (distance) C4'-P energy: -77.245
bonds (distance) P-C4' energy: -75.262
flat angles C4'-P-C4' energy: -91.450
flat angles P-C4'-P energy: -46.551
tors. eta vs tors. theta energy: -104.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1205.861143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.861143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.861143 (E_RNA)
where:
Base-Base interactions energy: -825.516
where: short stacking energy: -351.896
Base-Backbone interact. energy: -2.714
local terms energy: -377.630498
where:
bonds (distance) C4'-P energy: -73.621
bonds (distance) P-C4' energy: -69.356
flat angles C4'-P-C4' energy: -80.718
flat angles P-C4'-P energy: -54.342
tors. eta vs tors. theta energy: -99.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1086.047935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.047935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.047935 (E_RNA)
where:
Base-Base interactions energy: -694.710
where: short stacking energy: -293.019
Base-Backbone interact. energy: -2.942
local terms energy: -388.395899
where:
bonds (distance) C4'-P energy: -75.229
bonds (distance) P-C4' energy: -74.484
flat angles C4'-P-C4' energy: -88.086
flat angles P-C4'-P energy: -56.615
tors. eta vs tors. theta energy: -93.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1057.292388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.292388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.292388 (E_RNA)
where:
Base-Base interactions energy: -687.270
where: short stacking energy: -291.275
Base-Backbone interact. energy: -2.076
local terms energy: -367.946862
where:
bonds (distance) C4'-P energy: -73.932
bonds (distance) P-C4' energy: -78.487
flat angles C4'-P-C4' energy: -81.029
flat angles P-C4'-P energy: -54.957
tors. eta vs tors. theta energy: -79.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -891.767211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.767211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.767211 (E_RNA)
where:
Base-Base interactions energy: -552.094
where: short stacking energy: -237.155
Base-Backbone interact. energy: -2.573
local terms energy: -337.100901
where:
bonds (distance) C4'-P energy: -71.419
bonds (distance) P-C4' energy: -80.136
flat angles C4'-P-C4' energy: -65.014
flat angles P-C4'-P energy: -48.823
tors. eta vs tors. theta energy: -71.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -745.245769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.245769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.245769 (E_RNA)
where:
Base-Base interactions energy: -439.087
where: short stacking energy: -210.743
Base-Backbone interact. energy: 1.076
local terms energy: -307.235580
where:
bonds (distance) C4'-P energy: -62.581
bonds (distance) P-C4' energy: -78.056
flat angles C4'-P-C4' energy: -62.816
flat angles P-C4'-P energy: -52.096
tors. eta vs tors. theta energy: -51.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -438.599326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.599326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.599326 (E_RNA)
where:
Base-Base interactions energy: -186.520
where: short stacking energy: -105.520
Base-Backbone interact. energy: -0.045
local terms energy: -252.034187
where:
bonds (distance) C4'-P energy: -66.791
bonds (distance) P-C4' energy: -61.118
flat angles C4'-P-C4' energy: -72.079
flat angles P-C4'-P energy: -45.899
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -402.496355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.496355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.496355 (E_RNA)
where:
Base-Base interactions energy: -195.807
where: short stacking energy: -131.910
Base-Backbone interact. energy: 1.606
local terms energy: -208.295146
where:
bonds (distance) C4'-P energy: -61.746
bonds (distance) P-C4' energy: -69.658
flat angles C4'-P-C4' energy: -58.217
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -309.165728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.165728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.165728 (E_RNA)
where:
Base-Base interactions energy: -97.832
where: short stacking energy: -78.254
Base-Backbone interact. energy: -0.849
local terms energy: -210.484828
where:
bonds (distance) C4'-P energy: -52.466
bonds (distance) P-C4' energy: -70.431
flat angles C4'-P-C4' energy: -64.506
flat angles P-C4'-P energy: -30.531
tors. eta vs tors. theta energy: 7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1326.331508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.331508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.331508 (E_RNA)
where:
Base-Base interactions energy: -896.370
where: short stacking energy: -391.633
Base-Backbone interact. energy: -1.554
local terms energy: -428.407735
where:
bonds (distance) C4'-P energy: -78.593
bonds (distance) P-C4' energy: -78.098
flat angles C4'-P-C4' energy: -91.839
flat angles P-C4'-P energy: -61.762
tors. eta vs tors. theta energy: -118.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1226.375756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.375756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.375756 (E_RNA)
where:
Base-Base interactions energy: -821.049
where: short stacking energy: -342.906
Base-Backbone interact. energy: -1.460
local terms energy: -403.866519
where:
bonds (distance) C4'-P energy: -71.875
bonds (distance) P-C4' energy: -86.961
flat angles C4'-P-C4' energy: -89.161
flat angles P-C4'-P energy: -57.724
tors. eta vs tors. theta energy: -98.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1187.179937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.179937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.179937 (E_RNA)
where:
Base-Base interactions energy: -785.418
where: short stacking energy: -357.413
Base-Backbone interact. energy: -0.048
local terms energy: -401.714198
where:
bonds (distance) C4'-P energy: -85.011
bonds (distance) P-C4' energy: -70.824
flat angles C4'-P-C4' energy: -79.931
flat angles P-C4'-P energy: -61.856
tors. eta vs tors. theta energy: -104.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1103.678628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.678628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.678628 (E_RNA)
where:
Base-Base interactions energy: -739.720
where: short stacking energy: -299.955
Base-Backbone interact. energy: -1.226
local terms energy: -362.732669
where:
bonds (distance) C4'-P energy: -66.915
bonds (distance) P-C4' energy: -73.644
flat angles C4'-P-C4' energy: -80.083
flat angles P-C4'-P energy: -49.409
tors. eta vs tors. theta energy: -92.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1030.104468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.104468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.104468 (E_RNA)
where:
Base-Base interactions energy: -679.364
where: short stacking energy: -297.925
Base-Backbone interact. energy: -1.766
local terms energy: -348.974737
where:
bonds (distance) C4'-P energy: -67.936
bonds (distance) P-C4' energy: -69.553
flat angles C4'-P-C4' energy: -80.749
flat angles P-C4'-P energy: -56.677
tors. eta vs tors. theta energy: -74.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -932.426790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.426790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.426790 (E_RNA)
where:
Base-Base interactions energy: -586.664
where: short stacking energy: -283.575
Base-Backbone interact. energy: -1.085
local terms energy: -344.678247
where:
bonds (distance) C4'-P energy: -71.629
bonds (distance) P-C4' energy: -79.548
flat angles C4'-P-C4' energy: -68.419
flat angles P-C4'-P energy: -42.528
tors. eta vs tors. theta energy: -82.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -837.598466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.598466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.598466 (E_RNA)
where:
Base-Base interactions energy: -535.578
where: short stacking energy: -246.734
Base-Backbone interact. energy: 7.003
local terms energy: -309.023841
where:
bonds (distance) C4'-P energy: -66.096
bonds (distance) P-C4' energy: -68.634
flat angles C4'-P-C4' energy: -73.957
flat angles P-C4'-P energy: -47.970
tors. eta vs tors. theta energy: -52.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -440.453688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.453688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.453688 (E_RNA)
where:
Base-Base interactions energy: -219.110
where: short stacking energy: -125.635
Base-Backbone interact. energy: 7.340
local terms energy: -228.683172
where:
bonds (distance) C4'-P energy: -59.125
bonds (distance) P-C4' energy: -62.638
flat angles C4'-P-C4' energy: -57.024
flat angles P-C4'-P energy: -48.152
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -331.191276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.191276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.191276 (E_RNA)
where:
Base-Base interactions energy: -98.800
where: short stacking energy: -82.590
Base-Backbone interact. energy: 2.582
local terms energy: -234.972949
where:
bonds (distance) C4'-P energy: -74.021
bonds (distance) P-C4' energy: -75.590
flat angles C4'-P-C4' energy: -63.595
flat angles P-C4'-P energy: -36.061
tors. eta vs tors. theta energy: 14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -307.819837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.819837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.819837 (E_RNA)
where:
Base-Base interactions energy: -115.336
where: short stacking energy: -76.831
Base-Backbone interact. energy: 0.676
local terms energy: -193.159273
where:
bonds (distance) C4'-P energy: -52.671
bonds (distance) P-C4' energy: -66.265
flat angles C4'-P-C4' energy: -52.745
flat angles P-C4'-P energy: -34.169
tors. eta vs tors. theta energy: 12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1340.332497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.332497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.332497 (E_RNA)
where:
Base-Base interactions energy: -909.251
where: short stacking energy: -401.383
Base-Backbone interact. energy: 0.056
local terms energy: -431.138244
where:
bonds (distance) C4'-P energy: -80.602
bonds (distance) P-C4' energy: -90.485
flat angles C4'-P-C4' energy: -82.992
flat angles P-C4'-P energy: -55.354
tors. eta vs tors. theta energy: -121.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1243.280190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.280190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.280190 (E_RNA)
where:
Base-Base interactions energy: -853.656
where: short stacking energy: -374.064
Base-Backbone interact. energy: -2.408
local terms energy: -387.216386
where:
bonds (distance) C4'-P energy: -65.935
bonds (distance) P-C4' energy: -76.947
flat angles C4'-P-C4' energy: -92.537
flat angles P-C4'-P energy: -47.548
tors. eta vs tors. theta energy: -104.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1205.658425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.658425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.658425 (E_RNA)
where:
Base-Base interactions energy: -829.381
where: short stacking energy: -348.632
Base-Backbone interact. energy: -4.243
local terms energy: -372.034053
where:
bonds (distance) C4'-P energy: -72.841
bonds (distance) P-C4' energy: -65.685
flat angles C4'-P-C4' energy: -80.368
flat angles P-C4'-P energy: -46.717
tors. eta vs tors. theta energy: -106.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1069.996545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.996545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.996545 (E_RNA)
where:
Base-Base interactions energy: -719.769
where: short stacking energy: -280.009
Base-Backbone interact. energy: 0.114
local terms energy: -350.342020
where:
bonds (distance) C4'-P energy: -73.609
bonds (distance) P-C4' energy: -81.342
flat angles C4'-P-C4' energy: -64.353
flat angles P-C4'-P energy: -55.074
tors. eta vs tors. theta energy: -75.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1033.940872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.940872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.940872 (E_RNA)
where:
Base-Base interactions energy: -691.387
where: short stacking energy: -298.993
Base-Backbone interact. energy: -3.595
local terms energy: -338.959062
where:
bonds (distance) C4'-P energy: -59.922
bonds (distance) P-C4' energy: -73.674
flat angles C4'-P-C4' energy: -67.629
flat angles P-C4'-P energy: -45.449
tors. eta vs tors. theta energy: -92.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -889.677702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.677702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.677702 (E_RNA)
where:
Base-Base interactions energy: -561.370
where: short stacking energy: -267.366
Base-Backbone interact. energy: 1.221
local terms energy: -329.528823
where:
bonds (distance) C4'-P energy: -69.531
bonds (distance) P-C4' energy: -65.739
flat angles C4'-P-C4' energy: -80.601
flat angles P-C4'-P energy: -54.354
tors. eta vs tors. theta energy: -59.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -795.324083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.324083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.324083 (E_RNA)
where:
Base-Base interactions energy: -477.584
where: short stacking energy: -229.411
Base-Backbone interact. energy: -2.098
local terms energy: -315.641916
where:
bonds (distance) C4'-P energy: -67.046
bonds (distance) P-C4' energy: -67.921
flat angles C4'-P-C4' energy: -72.975
flat angles P-C4'-P energy: -49.935
tors. eta vs tors. theta energy: -57.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -407.663485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.663485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.663485 (E_RNA)
where:
Base-Base interactions energy: -186.921
where: short stacking energy: -107.087
Base-Backbone interact. energy: -1.674
local terms energy: -219.068358
where:
bonds (distance) C4'-P energy: -74.412
bonds (distance) P-C4' energy: -77.476
flat angles C4'-P-C4' energy: -46.684
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: 13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -342.409046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.409046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.409046 (E_RNA)
where:
Base-Base interactions energy: -121.903
where: short stacking energy: -99.022
Base-Backbone interact. energy: -0.198
local terms energy: -220.307188
where:
bonds (distance) C4'-P energy: -67.765
bonds (distance) P-C4' energy: -68.964
flat angles C4'-P-C4' energy: -60.761
flat angles P-C4'-P energy: -31.202
tors. eta vs tors. theta energy: 8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -325.066395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.066395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.066395 (E_RNA)
where:
Base-Base interactions energy: -118.134
where: short stacking energy: -94.894
Base-Backbone interact. energy: -2.696
local terms energy: -204.236768
where:
bonds (distance) C4'-P energy: -65.998
bonds (distance) P-C4' energy: -58.730
flat angles C4'-P-C4' energy: -60.939
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: 16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1316.471758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.471758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.471758 (E_RNA)
where:
Base-Base interactions energy: -882.245
where: short stacking energy: -387.184
Base-Backbone interact. energy: -2.339
local terms energy: -431.887426
where:
bonds (distance) C4'-P energy: -80.290
bonds (distance) P-C4' energy: -82.483
flat angles C4'-P-C4' energy: -94.019
flat angles P-C4'-P energy: -55.703
tors. eta vs tors. theta energy: -119.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1212.045313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.045313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.045313 (E_RNA)
where:
Base-Base interactions energy: -817.554
where: short stacking energy: -330.392
Base-Backbone interact. energy: 0.226
local terms energy: -394.716983
where:
bonds (distance) C4'-P energy: -80.957
bonds (distance) P-C4' energy: -70.979
flat angles C4'-P-C4' energy: -83.206
flat angles P-C4'-P energy: -62.905
tors. eta vs tors. theta energy: -96.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1184.713869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.713869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.713869 (E_RNA)
where:
Base-Base interactions energy: -783.006
where: short stacking energy: -325.454
Base-Backbone interact. energy: -3.101
local terms energy: -398.606790
where:
bonds (distance) C4'-P energy: -82.050
bonds (distance) P-C4' energy: -76.404
flat angles C4'-P-C4' energy: -85.237
flat angles P-C4'-P energy: -53.143
tors. eta vs tors. theta energy: -101.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1046.510084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.510084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.510084 (E_RNA)
where:
Base-Base interactions energy: -688.416
where: short stacking energy: -298.075
Base-Backbone interact. energy: 0.445
local terms energy: -358.539218
where:
bonds (distance) C4'-P energy: -73.712
bonds (distance) P-C4' energy: -83.816
flat angles C4'-P-C4' energy: -86.060
flat angles P-C4'-P energy: -46.767
tors. eta vs tors. theta energy: -68.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1025.459573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.459573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.459573 (E_RNA)
where:
Base-Base interactions energy: -673.046
where: short stacking energy: -296.654
Base-Backbone interact. energy: 2.328
local terms energy: -354.741383
where:
bonds (distance) C4'-P energy: -73.802
bonds (distance) P-C4' energy: -78.026
flat angles C4'-P-C4' energy: -83.837
flat angles P-C4'-P energy: -45.750
tors. eta vs tors. theta energy: -73.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -882.491883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.491883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.491883 (E_RNA)
where:
Base-Base interactions energy: -551.663
where: short stacking energy: -253.732
Base-Backbone interact. energy: -1.023
local terms energy: -329.806070
where:
bonds (distance) C4'-P energy: -71.548
bonds (distance) P-C4' energy: -84.318
flat angles C4'-P-C4' energy: -73.805
flat angles P-C4'-P energy: -38.295
tors. eta vs tors. theta energy: -61.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -780.190070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.190070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.190070 (E_RNA)
where:
Base-Base interactions energy: -503.560
where: short stacking energy: -225.436
Base-Backbone interact. energy: 2.637
local terms energy: -279.267468
where:
bonds (distance) C4'-P energy: -55.222
bonds (distance) P-C4' energy: -65.222
flat angles C4'-P-C4' energy: -79.257
flat angles P-C4'-P energy: -37.352
tors. eta vs tors. theta energy: -42.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -384.605978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.605978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.605978 (E_RNA)
where:
Base-Base interactions energy: -158.648
where: short stacking energy: -110.512
Base-Backbone interact. energy: -2.175
local terms energy: -223.783485
where:
bonds (distance) C4'-P energy: -50.682
bonds (distance) P-C4' energy: -60.606
flat angles C4'-P-C4' energy: -56.636
flat angles P-C4'-P energy: -44.717
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -324.743517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.743517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.743517 (E_RNA)
where:
Base-Base interactions energy: -119.818
where: short stacking energy: -100.595
Base-Backbone interact. energy: -0.101
local terms energy: -204.824275
where:
bonds (distance) C4'-P energy: -60.545
bonds (distance) P-C4' energy: -73.520
flat angles C4'-P-C4' energy: -56.832
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: 4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -377.834640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.834640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.834640 (E_RNA)
where:
Base-Base interactions energy: -142.039
where: short stacking energy: -99.932
Base-Backbone interact. energy: 1.287
local terms energy: -237.082878
where:
bonds (distance) C4'-P energy: -71.594
bonds (distance) P-C4' energy: -68.525
flat angles C4'-P-C4' energy: -57.154
flat angles P-C4'-P energy: -38.318
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1309.777187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.777187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.777187 (E_RNA)
where:
Base-Base interactions energy: -881.358
where: short stacking energy: -358.058
Base-Backbone interact. energy: -1.341
local terms energy: -427.078153
where:
bonds (distance) C4'-P energy: -77.834
bonds (distance) P-C4' energy: -82.537
flat angles C4'-P-C4' energy: -95.081
flat angles P-C4'-P energy: -61.060
tors. eta vs tors. theta energy: -110.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1223.069344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.069344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.069344 (E_RNA)
where:
Base-Base interactions energy: -825.164
where: short stacking energy: -350.796
Base-Backbone interact. energy: -0.458
local terms energy: -397.447253
where:
bonds (distance) C4'-P energy: -70.611
bonds (distance) P-C4' energy: -76.343
flat angles C4'-P-C4' energy: -81.804
flat angles P-C4'-P energy: -59.880
tors. eta vs tors. theta energy: -108.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1226.213311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.213311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.213311 (E_RNA)
where:
Base-Base interactions energy: -829.243
where: short stacking energy: -352.184
Base-Backbone interact. energy: -0.861
local terms energy: -396.110119
where:
bonds (distance) C4'-P energy: -74.207
bonds (distance) P-C4' energy: -67.555
flat angles C4'-P-C4' energy: -91.995
flat angles P-C4'-P energy: -57.823
tors. eta vs tors. theta energy: -104.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1030.463692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.463692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.463692 (E_RNA)
where:
Base-Base interactions energy: -692.236
where: short stacking energy: -288.293
Base-Backbone interact. energy: -4.105
local terms energy: -334.122954
where:
bonds (distance) C4'-P energy: -81.131
bonds (distance) P-C4' energy: -66.506
flat angles C4'-P-C4' energy: -76.820
flat angles P-C4'-P energy: -30.807
tors. eta vs tors. theta energy: -78.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1062.427427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.427427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.427427 (E_RNA)
where:
Base-Base interactions energy: -709.930
where: short stacking energy: -302.738
Base-Backbone interact. energy: -0.441
local terms energy: -352.055689
where:
bonds (distance) C4'-P energy: -67.054
bonds (distance) P-C4' energy: -71.665
flat angles C4'-P-C4' energy: -81.714
flat angles P-C4'-P energy: -53.977
tors. eta vs tors. theta energy: -77.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -870.183494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.183494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.183494 (E_RNA)
where:
Base-Base interactions energy: -544.644
where: short stacking energy: -232.846
Base-Backbone interact. energy: -1.452
local terms energy: -324.088259
where:
bonds (distance) C4'-P energy: -73.551
bonds (distance) P-C4' energy: -67.385
flat angles C4'-P-C4' energy: -74.726
flat angles P-C4'-P energy: -41.517
tors. eta vs tors. theta energy: -66.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -772.235957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.235957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.235957 (E_RNA)
where:
Base-Base interactions energy: -456.503
where: short stacking energy: -207.880
Base-Backbone interact. energy: -1.816
local terms energy: -313.917039
where:
bonds (distance) C4'-P energy: -85.043
bonds (distance) P-C4' energy: -75.352
flat angles C4'-P-C4' energy: -58.139
flat angles P-C4'-P energy: -49.666
tors. eta vs tors. theta energy: -45.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -365.495830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.495830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.495830 (E_RNA)
where:
Base-Base interactions energy: -114.110
where: short stacking energy: -109.684
Base-Backbone interact. energy: -1.942
local terms energy: -249.443854
where:
bonds (distance) C4'-P energy: -59.639
bonds (distance) P-C4' energy: -73.699
flat angles C4'-P-C4' energy: -66.166
flat angles P-C4'-P energy: -49.705
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -437.050059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.050059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.050059 (E_RNA)
where:
Base-Base interactions energy: -194.449
where: short stacking energy: -129.849
Base-Backbone interact. energy: -0.927
local terms energy: -241.674219
where:
bonds (distance) C4'-P energy: -65.721
bonds (distance) P-C4' energy: -80.938
flat angles C4'-P-C4' energy: -56.456
flat angles P-C4'-P energy: -34.664
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -344.536957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.536957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.536957 (E_RNA)
where:
Base-Base interactions energy: -126.095
where: short stacking energy: -94.055
Base-Backbone interact. energy: -1.986
local terms energy: -216.455386
where:
bonds (distance) C4'-P energy: -67.320
bonds (distance) P-C4' energy: -74.737
flat angles C4'-P-C4' energy: -47.078
flat angles P-C4'-P energy: -24.586
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1309.789274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.789274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.789274 (E_RNA)
where:
Base-Base interactions energy: -895.993
where: short stacking energy: -366.717
Base-Backbone interact. energy: -1.892
local terms energy: -411.903895
where:
bonds (distance) C4'-P energy: -83.813
bonds (distance) P-C4' energy: -75.131
flat angles C4'-P-C4' energy: -90.408
flat angles P-C4'-P energy: -53.292
tors. eta vs tors. theta energy: -109.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1253.336039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.336039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.336039 (E_RNA)
where:
Base-Base interactions energy: -855.352
where: short stacking energy: -376.930
Base-Backbone interact. energy: -1.551
local terms energy: -396.432695
where:
bonds (distance) C4'-P energy: -79.188
bonds (distance) P-C4' energy: -76.380
flat angles C4'-P-C4' energy: -77.209
flat angles P-C4'-P energy: -63.821
tors. eta vs tors. theta energy: -99.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1242.510037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.510037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.510037 (E_RNA)
where:
Base-Base interactions energy: -822.865
where: short stacking energy: -337.946
Base-Backbone interact. energy: -2.799
local terms energy: -416.845713
where:
bonds (distance) C4'-P energy: -82.616
bonds (distance) P-C4' energy: -80.706
flat angles C4'-P-C4' energy: -83.317
flat angles P-C4'-P energy: -62.175
tors. eta vs tors. theta energy: -108.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1036.869442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.869442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.869442 (E_RNA)
where:
Base-Base interactions energy: -677.252
where: short stacking energy: -274.596
Base-Backbone interact. energy: -1.059
local terms energy: -358.557796
where:
bonds (distance) C4'-P energy: -76.182
bonds (distance) P-C4' energy: -79.248
flat angles C4'-P-C4' energy: -83.533
flat angles P-C4'-P energy: -48.122
tors. eta vs tors. theta energy: -71.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1071.559226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.559226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.559226 (E_RNA)
where:
Base-Base interactions energy: -701.857
where: short stacking energy: -303.659
Base-Backbone interact. energy: -0.950
local terms energy: -368.752012
where:
bonds (distance) C4'-P energy: -81.573
bonds (distance) P-C4' energy: -67.842
flat angles C4'-P-C4' energy: -83.087
flat angles P-C4'-P energy: -59.359
tors. eta vs tors. theta energy: -76.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -877.264275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.264275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.264275 (E_RNA)
where:
Base-Base interactions energy: -541.369
where: short stacking energy: -275.014
Base-Backbone interact. energy: -1.447
local terms energy: -334.447649
where:
bonds (distance) C4'-P energy: -64.911
bonds (distance) P-C4' energy: -65.847
flat angles C4'-P-C4' energy: -74.287
flat angles P-C4'-P energy: -51.585
tors. eta vs tors. theta energy: -77.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -782.970729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.970729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.970729 (E_RNA)
where:
Base-Base interactions energy: -484.118
where: short stacking energy: -230.393
Base-Backbone interact. energy: 2.010
local terms energy: -300.862399
where:
bonds (distance) C4'-P energy: -74.995
bonds (distance) P-C4' energy: -77.401
flat angles C4'-P-C4' energy: -54.231
flat angles P-C4'-P energy: -37.991
tors. eta vs tors. theta energy: -56.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -475.275664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.275664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.275664 (E_RNA)
where:
Base-Base interactions energy: -226.241
where: short stacking energy: -145.097
Base-Backbone interact. energy: -1.392
local terms energy: -247.643246
where:
bonds (distance) C4'-P energy: -63.396
bonds (distance) P-C4' energy: -65.728
flat angles C4'-P-C4' energy: -59.957
flat angles P-C4'-P energy: -41.145
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -339.637978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.637978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.637978 (E_RNA)
where:
Base-Base interactions energy: -111.756
where: short stacking energy: -104.612
Base-Backbone interact. energy: 0.095
local terms energy: -227.976863
where:
bonds (distance) C4'-P energy: -64.901
bonds (distance) P-C4' energy: -65.820
flat angles C4'-P-C4' energy: -59.646
flat angles P-C4'-P energy: -33.723
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -320.340569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.340569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.340569 (E_RNA)
where:
Base-Base interactions energy: -123.429
where: short stacking energy: -94.453
Base-Backbone interact. energy: 3.161
local terms energy: -200.071875
where:
bonds (distance) C4'-P energy: -56.669
bonds (distance) P-C4' energy: -54.723
flat angles C4'-P-C4' energy: -62.238
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: 7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1310.416820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.416820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.416820 (E_RNA)
where:
Base-Base interactions energy: -894.981
where: short stacking energy: -366.988
Base-Backbone interact. energy: -0.325
local terms energy: -415.110588
where:
bonds (distance) C4'-P energy: -66.385
bonds (distance) P-C4' energy: -79.063
flat angles C4'-P-C4' energy: -91.272
flat angles P-C4'-P energy: -67.348
tors. eta vs tors. theta energy: -111.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1233.650344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.650344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.650344 (E_RNA)
where:
Base-Base interactions energy: -847.208
where: short stacking energy: -350.556
Base-Backbone interact. energy: -3.594
local terms energy: -382.848834
where:
bonds (distance) C4'-P energy: -69.978
bonds (distance) P-C4' energy: -71.673
flat angles C4'-P-C4' energy: -91.327
flat angles P-C4'-P energy: -49.597
tors. eta vs tors. theta energy: -100.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1210.755871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.755871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.755871 (E_RNA)
where:
Base-Base interactions energy: -841.223
where: short stacking energy: -323.433
Base-Backbone interact. energy: -0.441
local terms energy: -369.091358
where:
bonds (distance) C4'-P energy: -65.657
bonds (distance) P-C4' energy: -71.234
flat angles C4'-P-C4' energy: -88.495
flat angles P-C4'-P energy: -47.888
tors. eta vs tors. theta energy: -95.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1077.110160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.110160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.110160 (E_RNA)
where:
Base-Base interactions energy: -708.390
where: short stacking energy: -297.817
Base-Backbone interact. energy: -4.502
local terms energy: -364.217839
where:
bonds (distance) C4'-P energy: -71.499
bonds (distance) P-C4' energy: -74.468
flat angles C4'-P-C4' energy: -89.301
flat angles P-C4'-P energy: -44.672
tors. eta vs tors. theta energy: -84.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1100.259478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.259478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.259478 (E_RNA)
where:
Base-Base interactions energy: -737.244
where: short stacking energy: -316.984
Base-Backbone interact. energy: -0.970
local terms energy: -362.045125
where:
bonds (distance) C4'-P energy: -66.444
bonds (distance) P-C4' energy: -65.551
flat angles C4'-P-C4' energy: -81.335
flat angles P-C4'-P energy: -47.607
tors. eta vs tors. theta energy: -101.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -871.924703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.924703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.924703 (E_RNA)
where:
Base-Base interactions energy: -517.835
where: short stacking energy: -265.179
Base-Backbone interact. energy: -1.999
local terms energy: -352.090429
where:
bonds (distance) C4'-P energy: -76.484
bonds (distance) P-C4' energy: -76.148
flat angles C4'-P-C4' energy: -76.787
flat angles P-C4'-P energy: -49.579
tors. eta vs tors. theta energy: -73.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -729.985545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.985545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.985545 (E_RNA)
where:
Base-Base interactions energy: -450.122
where: short stacking energy: -220.806
Base-Backbone interact. energy: -1.874
local terms energy: -277.990253
where:
bonds (distance) C4'-P energy: -74.379
bonds (distance) P-C4' energy: -61.303
flat angles C4'-P-C4' energy: -75.133
flat angles P-C4'-P energy: -30.810
tors. eta vs tors. theta energy: -36.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -450.078664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.078664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.078664 (E_RNA)
where:
Base-Base interactions energy: -198.362
where: short stacking energy: -107.962
Base-Backbone interact. energy: 1.907
local terms energy: -253.623985
where:
bonds (distance) C4'-P energy: -71.540
bonds (distance) P-C4' energy: -75.913
flat angles C4'-P-C4' energy: -59.988
flat angles P-C4'-P energy: -41.315
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -331.992549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.992549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.992549 (E_RNA)
where:
Base-Base interactions energy: -115.593
where: short stacking energy: -87.821
Base-Backbone interact. energy: 6.028
local terms energy: -222.427149
where:
bonds (distance) C4'-P energy: -59.699
bonds (distance) P-C4' energy: -70.421
flat angles C4'-P-C4' energy: -57.336
flat angles P-C4'-P energy: -42.745
tors. eta vs tors. theta energy: 7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -330.389903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.389903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.389903 (E_RNA)
where:
Base-Base interactions energy: -97.910
where: short stacking energy: -88.646
Base-Backbone interact. energy: 0.924
local terms energy: -233.403639
where:
bonds (distance) C4'-P energy: -79.582
bonds (distance) P-C4' energy: -72.322
flat angles C4'-P-C4' energy: -58.724
flat angles P-C4'-P energy: -34.513
tors. eta vs tors. theta energy: 11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1330.194636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.194636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.194636 (E_RNA)
where:
Base-Base interactions energy: -904.174
where: short stacking energy: -393.620
Base-Backbone interact. energy: -2.084
local terms energy: -423.936545
where:
bonds (distance) C4'-P energy: -80.629
bonds (distance) P-C4' energy: -78.255
flat angles C4'-P-C4' energy: -94.341
flat angles P-C4'-P energy: -59.916
tors. eta vs tors. theta energy: -110.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1233.018744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.018744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.018744 (E_RNA)
where:
Base-Base interactions energy: -820.956
where: short stacking energy: -349.227
Base-Backbone interact. energy: -2.084
local terms energy: -409.978595
where:
bonds (distance) C4'-P energy: -78.294
bonds (distance) P-C4' energy: -85.378
flat angles C4'-P-C4' energy: -82.868
flat angles P-C4'-P energy: -58.625
tors. eta vs tors. theta energy: -104.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1180.698764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.698764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.698764 (E_RNA)
where:
Base-Base interactions energy: -769.780
where: short stacking energy: -335.464
Base-Backbone interact. energy: -0.914
local terms energy: -410.004756
where:
bonds (distance) C4'-P energy: -82.564
bonds (distance) P-C4' energy: -73.308
flat angles C4'-P-C4' energy: -92.366
flat angles P-C4'-P energy: -59.027
tors. eta vs tors. theta energy: -102.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1116.773909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.773909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.773909 (E_RNA)
where:
Base-Base interactions energy: -733.354
where: short stacking energy: -319.473
Base-Backbone interact. energy: -1.989
local terms energy: -381.430890
where:
bonds (distance) C4'-P energy: -80.747
bonds (distance) P-C4' energy: -75.601
flat angles C4'-P-C4' energy: -82.749
flat angles P-C4'-P energy: -46.078
tors. eta vs tors. theta energy: -96.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1014.967183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.967183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.967183 (E_RNA)
where:
Base-Base interactions energy: -663.464
where: short stacking energy: -268.502
Base-Backbone interact. energy: -0.218
local terms energy: -351.285471
where:
bonds (distance) C4'-P energy: -64.626
bonds (distance) P-C4' energy: -79.776
flat angles C4'-P-C4' energy: -72.770
flat angles P-C4'-P energy: -46.553
tors. eta vs tors. theta energy: -87.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -844.993826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.993826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.993826 (E_RNA)
where:
Base-Base interactions energy: -524.282
where: short stacking energy: -233.657
Base-Backbone interact. energy: -2.471
local terms energy: -318.241021
where:
bonds (distance) C4'-P energy: -71.738
bonds (distance) P-C4' energy: -71.425
flat angles C4'-P-C4' energy: -75.901
flat angles P-C4'-P energy: -44.270
tors. eta vs tors. theta energy: -54.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -751.295636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.295636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.295636 (E_RNA)
where:
Base-Base interactions energy: -438.077
where: short stacking energy: -221.754
Base-Backbone interact. energy: -0.117
local terms energy: -313.101838
where:
bonds (distance) C4'-P energy: -74.275
bonds (distance) P-C4' energy: -74.102
flat angles C4'-P-C4' energy: -67.157
flat angles P-C4'-P energy: -48.973
tors. eta vs tors. theta energy: -48.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -488.588211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.588211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.588211 (E_RNA)
where:
Base-Base interactions energy: -252.842
where: short stacking energy: -136.192
Base-Backbone interact. energy: 1.188
local terms energy: -236.934276
where:
bonds (distance) C4'-P energy: -49.409
bonds (distance) P-C4' energy: -73.451
flat angles C4'-P-C4' energy: -61.417
flat angles P-C4'-P energy: -35.380
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -339.501343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.501343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.501343 (E_RNA)
where:
Base-Base interactions energy: -125.612
where: short stacking energy: -84.304
Base-Backbone interact. energy: -2.064
local terms energy: -211.825175
where:
bonds (distance) C4'-P energy: -58.408
bonds (distance) P-C4' energy: -69.747
flat angles C4'-P-C4' energy: -72.026
flat angles P-C4'-P energy: -22.947
tors. eta vs tors. theta energy: 11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -316.347203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.347203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.347203 (E_RNA)
where:
Base-Base interactions energy: -97.476
where: short stacking energy: -86.195
Base-Backbone interact. energy: -3.033
local terms energy: -215.837557
where:
bonds (distance) C4'-P energy: -59.738
bonds (distance) P-C4' energy: -67.946
flat angles C4'-P-C4' energy: -61.645
flat angles P-C4'-P energy: -39.483
tors. eta vs tors. theta energy: 12.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1340.490526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.490526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.490526 (E_RNA)
where:
Base-Base interactions energy: -908.985
where: short stacking energy: -402.039
Base-Backbone interact. energy: 0.160
local terms energy: -431.665476
where:
bonds (distance) C4'-P energy: -83.190
bonds (distance) P-C4' energy: -86.428
flat angles C4'-P-C4' energy: -86.351
flat angles P-C4'-P energy: -59.551
tors. eta vs tors. theta energy: -116.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1246.939666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.939666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.939666 (E_RNA)
where:
Base-Base interactions energy: -851.484
where: short stacking energy: -365.617
Base-Backbone interact. energy: -0.039
local terms energy: -395.415991
where:
bonds (distance) C4'-P energy: -75.212
bonds (distance) P-C4' energy: -76.259
flat angles C4'-P-C4' energy: -78.485
flat angles P-C4'-P energy: -61.364
tors. eta vs tors. theta energy: -104.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1174.334303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.334303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.334303 (E_RNA)
where:
Base-Base interactions energy: -788.448
where: short stacking energy: -339.400
Base-Backbone interact. energy: -2.211
local terms energy: -383.675586
where:
bonds (distance) C4'-P energy: -70.638
bonds (distance) P-C4' energy: -72.386
flat angles C4'-P-C4' energy: -87.203
flat angles P-C4'-P energy: -49.273
tors. eta vs tors. theta energy: -104.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1124.938015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.938015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.938015 (E_RNA)
where:
Base-Base interactions energy: -742.399
where: short stacking energy: -330.420
Base-Backbone interact. energy: -1.532
local terms energy: -381.006362
where:
bonds (distance) C4'-P energy: -74.518
bonds (distance) P-C4' energy: -72.843
flat angles C4'-P-C4' energy: -83.822
flat angles P-C4'-P energy: -45.154
tors. eta vs tors. theta energy: -104.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1024.056963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.056963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.056963 (E_RNA)
where:
Base-Base interactions energy: -663.116
where: short stacking energy: -277.142
Base-Backbone interact. energy: -1.175
local terms energy: -359.766330
where:
bonds (distance) C4'-P energy: -74.360
bonds (distance) P-C4' energy: -83.588
flat angles C4'-P-C4' energy: -73.867
flat angles P-C4'-P energy: -48.063
tors. eta vs tors. theta energy: -79.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -850.359020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.359020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.359020 (E_RNA)
where:
Base-Base interactions energy: -514.029
where: short stacking energy: -238.699
Base-Backbone interact. energy: 0.309
local terms energy: -336.639069
where:
bonds (distance) C4'-P energy: -69.106
bonds (distance) P-C4' energy: -73.159
flat angles C4'-P-C4' energy: -76.732
flat angles P-C4'-P energy: -54.093
tors. eta vs tors. theta energy: -63.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -835.255946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.255946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.255946 (E_RNA)
where:
Base-Base interactions energy: -534.139
where: short stacking energy: -228.812
Base-Backbone interact. energy: -1.725
local terms energy: -299.391989
where:
bonds (distance) C4'-P energy: -64.586
bonds (distance) P-C4' energy: -73.024
flat angles C4'-P-C4' energy: -57.576
flat angles P-C4'-P energy: -48.724
tors. eta vs tors. theta energy: -55.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -557.529983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.529983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.529983 (E_RNA)
where:
Base-Base interactions energy: -309.575
where: short stacking energy: -142.726
Base-Backbone interact. energy: -1.629
local terms energy: -246.325512
where:
bonds (distance) C4'-P energy: -53.822
bonds (distance) P-C4' energy: -60.207
flat angles C4'-P-C4' energy: -69.342
flat angles P-C4'-P energy: -44.966
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -330.371404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.371404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.371404 (E_RNA)
where:
Base-Base interactions energy: -128.570
where: short stacking energy: -109.194
Base-Backbone interact. energy: -2.196
local terms energy: -199.604957
where:
bonds (distance) C4'-P energy: -59.931
bonds (distance) P-C4' energy: -59.308
flat angles C4'-P-C4' energy: -51.724
flat angles P-C4'-P energy: -33.483
tors. eta vs tors. theta energy: 4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -316.500360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.500360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.500360 (E_RNA)
where:
Base-Base interactions energy: -107.529
where: short stacking energy: -75.316
Base-Backbone interact. energy: 3.182
local terms energy: -212.153346
where:
bonds (distance) C4'-P energy: -59.199
bonds (distance) P-C4' energy: -66.702
flat angles C4'-P-C4' energy: -66.496
flat angles P-C4'-P energy: -25.612
tors. eta vs tors. theta energy: 5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1317.558793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.558793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.558793 (E_RNA)
where:
Base-Base interactions energy: -889.370
where: short stacking energy: -374.102
Base-Backbone interact. energy: -0.724
local terms energy: -427.464811
where:
bonds (distance) C4'-P energy: -87.510
bonds (distance) P-C4' energy: -86.485
flat angles C4'-P-C4' energy: -82.783
flat angles P-C4'-P energy: -48.732
tors. eta vs tors. theta energy: -121.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1211.989324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.989324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.989324 (E_RNA)
where:
Base-Base interactions energy: -806.605
where: short stacking energy: -368.862
Base-Backbone interact. energy: -1.732
local terms energy: -403.652319
where:
bonds (distance) C4'-P energy: -77.910
bonds (distance) P-C4' energy: -74.586
flat angles C4'-P-C4' energy: -84.900
flat angles P-C4'-P energy: -58.260
tors. eta vs tors. theta energy: -107.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1236.657163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.657163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.657163 (E_RNA)
where:
Base-Base interactions energy: -824.702
where: short stacking energy: -350.783
Base-Backbone interact. energy: -0.464
local terms energy: -411.491361
where:
bonds (distance) C4'-P energy: -80.499
bonds (distance) P-C4' energy: -84.327
flat angles C4'-P-C4' energy: -89.602
flat angles P-C4'-P energy: -49.790
tors. eta vs tors. theta energy: -107.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1154.387178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.387178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.387178 (E_RNA)
where:
Base-Base interactions energy: -770.383
where: short stacking energy: -328.899
Base-Backbone interact. energy: -3.378
local terms energy: -380.625665
where:
bonds (distance) C4'-P energy: -86.169
bonds (distance) P-C4' energy: -70.671
flat angles C4'-P-C4' energy: -71.855
flat angles P-C4'-P energy: -57.308
tors. eta vs tors. theta energy: -94.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -986.910848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.910848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.910848 (E_RNA)
where:
Base-Base interactions energy: -656.954
where: short stacking energy: -272.418
Base-Backbone interact. energy: -1.972
local terms energy: -327.984787
where:
bonds (distance) C4'-P energy: -67.304
bonds (distance) P-C4' energy: -68.645
flat angles C4'-P-C4' energy: -70.060
flat angles P-C4'-P energy: -40.187
tors. eta vs tors. theta energy: -81.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -890.430011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.430011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.430011 (E_RNA)
where:
Base-Base interactions energy: -557.971
where: short stacking energy: -261.730
Base-Backbone interact. energy: -1.653
local terms energy: -330.806169
where:
bonds (distance) C4'-P energy: -69.741
bonds (distance) P-C4' energy: -75.500
flat angles C4'-P-C4' energy: -65.945
flat angles P-C4'-P energy: -53.114
tors. eta vs tors. theta energy: -66.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -803.598727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.598727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.598727 (E_RNA)
where:
Base-Base interactions energy: -480.322
where: short stacking energy: -224.315
Base-Backbone interact. energy: -0.913
local terms energy: -322.363996
where:
bonds (distance) C4'-P energy: -71.139
bonds (distance) P-C4' energy: -76.568
flat angles C4'-P-C4' energy: -81.120
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -53.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -531.869875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.869875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.869875 (E_RNA)
where:
Base-Base interactions energy: -262.433
where: short stacking energy: -146.804
Base-Backbone interact. energy: 0.553
local terms energy: -269.990378
where:
bonds (distance) C4'-P energy: -78.323
bonds (distance) P-C4' energy: -66.438
flat angles C4'-P-C4' energy: -67.484
flat angles P-C4'-P energy: -37.974
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -382.611145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.611145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.611145 (E_RNA)
where:
Base-Base interactions energy: -162.188
where: short stacking energy: -114.996
Base-Backbone interact. energy: -0.422
local terms energy: -220.000514
where:
bonds (distance) C4'-P energy: -67.573
bonds (distance) P-C4' energy: -63.438
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -36.930
tors. eta vs tors. theta energy: 5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -375.453126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.453126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.453126 (E_RNA)
where:
Base-Base interactions energy: -153.685
where: short stacking energy: -89.820
Base-Backbone interact. energy: -0.245
local terms energy: -221.523727
where:
bonds (distance) C4'-P energy: -75.743
bonds (distance) P-C4' energy: -60.505
flat angles C4'-P-C4' energy: -66.897
flat angles P-C4'-P energy: -30.048
tors. eta vs tors. theta energy: 11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1317.650107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.650107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.650107 (E_RNA)
where:
Base-Base interactions energy: -881.051
where: short stacking energy: -390.566
Base-Backbone interact. energy: -0.890
local terms energy: -435.708929
where:
bonds (distance) C4'-P energy: -83.360
bonds (distance) P-C4' energy: -87.238
flat angles C4'-P-C4' energy: -84.403
flat angles P-C4'-P energy: -63.480
tors. eta vs tors. theta energy: -117.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1221.547450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.547450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.547450 (E_RNA)
where:
Base-Base interactions energy: -818.147
where: short stacking energy: -366.454
Base-Backbone interact. energy: 0.859
local terms energy: -404.259688
where:
bonds (distance) C4'-P energy: -68.774
bonds (distance) P-C4' energy: -75.833
flat angles C4'-P-C4' energy: -87.665
flat angles P-C4'-P energy: -67.063
tors. eta vs tors. theta energy: -104.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1200.094886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.094886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.094886 (E_RNA)
where:
Base-Base interactions energy: -827.737
where: short stacking energy: -361.360
Base-Backbone interact. energy: -0.779
local terms energy: -371.579043
where:
bonds (distance) C4'-P energy: -60.707
bonds (distance) P-C4' energy: -68.744
flat angles C4'-P-C4' energy: -84.650
flat angles P-C4'-P energy: -55.339
tors. eta vs tors. theta energy: -102.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1157.266864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.266864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.266864 (E_RNA)
where:
Base-Base interactions energy: -763.875
where: short stacking energy: -349.227
Base-Backbone interact. energy: 0.230
local terms energy: -393.621490
where:
bonds (distance) C4'-P energy: -75.313
bonds (distance) P-C4' energy: -79.105
flat angles C4'-P-C4' energy: -83.974
flat angles P-C4'-P energy: -54.162
tors. eta vs tors. theta energy: -101.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1010.807284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.807284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.807284 (E_RNA)
where:
Base-Base interactions energy: -651.600
where: short stacking energy: -282.043
Base-Backbone interact. energy: 4.743
local terms energy: -363.949521
where:
bonds (distance) C4'-P energy: -73.066
bonds (distance) P-C4' energy: -75.073
flat angles C4'-P-C4' energy: -77.245
flat angles P-C4'-P energy: -58.631
tors. eta vs tors. theta energy: -79.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -866.946511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.946511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.946511 (E_RNA)
where:
Base-Base interactions energy: -540.353
where: short stacking energy: -250.013
Base-Backbone interact. energy: -1.140
local terms energy: -325.453388
where:
bonds (distance) C4'-P energy: -77.929
bonds (distance) P-C4' energy: -68.765
flat angles C4'-P-C4' energy: -84.138
flat angles P-C4'-P energy: -24.463
tors. eta vs tors. theta energy: -70.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -747.766170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.766170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.766170 (E_RNA)
where:
Base-Base interactions energy: -428.387
where: short stacking energy: -226.733
Base-Backbone interact. energy: -1.490
local terms energy: -317.889548
where:
bonds (distance) C4'-P energy: -75.524
bonds (distance) P-C4' energy: -65.850
flat angles C4'-P-C4' energy: -73.540
flat angles P-C4'-P energy: -48.134
tors. eta vs tors. theta energy: -54.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -544.118286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.118286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.118286 (E_RNA)
where:
Base-Base interactions energy: -280.321
where: short stacking energy: -138.514
Base-Backbone interact. energy: 4.232
local terms energy: -268.028890
where:
bonds (distance) C4'-P energy: -72.381
bonds (distance) P-C4' energy: -66.674
flat angles C4'-P-C4' energy: -62.357
flat angles P-C4'-P energy: -45.725
tors. eta vs tors. theta energy: -20.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -422.449382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.449382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.449382 (E_RNA)
where:
Base-Base interactions energy: -166.296
where: short stacking energy: -97.252
Base-Backbone interact. energy: 0.704
local terms energy: -256.857624
where:
bonds (distance) C4'-P energy: -87.702
bonds (distance) P-C4' energy: -71.912
flat angles C4'-P-C4' energy: -66.005
flat angles P-C4'-P energy: -34.742
tors. eta vs tors. theta energy: 3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -312.649426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.649426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.649426 (E_RNA)
where:
Base-Base interactions energy: -113.898
where: short stacking energy: -70.863
Base-Backbone interact. energy: -0.184
local terms energy: -198.566874
where:
bonds (distance) C4'-P energy: -64.416
bonds (distance) P-C4' energy: -66.134
flat angles C4'-P-C4' energy: -46.865
flat angles P-C4'-P energy: -41.308
tors. eta vs tors. theta energy: 20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1346.402022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.402022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.402022 (E_RNA)
where:
Base-Base interactions energy: -894.143
where: short stacking energy: -385.335
Base-Backbone interact. energy: -2.191
local terms energy: -450.067676
where:
bonds (distance) C4'-P energy: -81.117
bonds (distance) P-C4' energy: -75.190
flat angles C4'-P-C4' energy: -99.459
flat angles P-C4'-P energy: -66.483
tors. eta vs tors. theta energy: -127.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1213.264761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.264761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.264761 (E_RNA)
where:
Base-Base interactions energy: -819.426
where: short stacking energy: -352.248
Base-Backbone interact. energy: -1.589
local terms energy: -392.249945
where:
bonds (distance) C4'-P energy: -71.679
bonds (distance) P-C4' energy: -69.887
flat angles C4'-P-C4' energy: -93.642
flat angles P-C4'-P energy: -49.212
tors. eta vs tors. theta energy: -107.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1215.266564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.266564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.266564 (E_RNA)
where:
Base-Base interactions energy: -845.638
where: short stacking energy: -355.494
Base-Backbone interact. energy: 0.661
local terms energy: -370.289142
where:
bonds (distance) C4'-P energy: -72.995
bonds (distance) P-C4' energy: -71.379
flat angles C4'-P-C4' energy: -72.610
flat angles P-C4'-P energy: -49.980
tors. eta vs tors. theta energy: -103.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1138.579250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.579250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.579250 (E_RNA)
where:
Base-Base interactions energy: -760.274
where: short stacking energy: -306.414
Base-Backbone interact. energy: -0.330
local terms energy: -377.975594
where:
bonds (distance) C4'-P energy: -72.960
bonds (distance) P-C4' energy: -82.912
flat angles C4'-P-C4' energy: -78.206
flat angles P-C4'-P energy: -46.909
tors. eta vs tors. theta energy: -96.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -983.948040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.948040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.948040 (E_RNA)
where:
Base-Base interactions energy: -642.252
where: short stacking energy: -306.193
Base-Backbone interact. energy: -1.015
local terms energy: -340.681346
where:
bonds (distance) C4'-P energy: -63.586
bonds (distance) P-C4' energy: -65.156
flat angles C4'-P-C4' energy: -88.730
flat angles P-C4'-P energy: -38.517
tors. eta vs tors. theta energy: -84.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -935.847496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.847496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.847496 (E_RNA)
where:
Base-Base interactions energy: -597.989
where: short stacking energy: -275.086
Base-Backbone interact. energy: -2.033
local terms energy: -335.824770
where:
bonds (distance) C4'-P energy: -61.804
bonds (distance) P-C4' energy: -68.012
flat angles C4'-P-C4' energy: -76.402
flat angles P-C4'-P energy: -54.498
tors. eta vs tors. theta energy: -75.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -730.878396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.878396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.878396 (E_RNA)
where:
Base-Base interactions energy: -442.114
where: short stacking energy: -186.678
Base-Backbone interact. energy: -2.831
local terms energy: -285.932990
where:
bonds (distance) C4'-P energy: -66.250
bonds (distance) P-C4' energy: -79.531
flat angles C4'-P-C4' energy: -68.002
flat angles P-C4'-P energy: -42.672
tors. eta vs tors. theta energy: -29.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -472.422373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.422373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.422373 (E_RNA)
where:
Base-Base interactions energy: -234.010
where: short stacking energy: -149.903
Base-Backbone interact. energy: 0.983
local terms energy: -239.395415
where:
bonds (distance) C4'-P energy: -77.701
bonds (distance) P-C4' energy: -56.975
flat angles C4'-P-C4' energy: -55.883
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: -10.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -415.898338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.898338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.898338 (E_RNA)
where:
Base-Base interactions energy: -191.099
where: short stacking energy: -104.274
Base-Backbone interact. energy: -0.825
local terms energy: -223.974624
where:
bonds (distance) C4'-P energy: -78.887
bonds (distance) P-C4' energy: -53.840
flat angles C4'-P-C4' energy: -60.594
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: 3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -328.900195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.900195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.900195 (E_RNA)
where:
Base-Base interactions energy: -108.724
where: short stacking energy: -97.293
Base-Backbone interact. energy: -2.578
local terms energy: -217.598789
where:
bonds (distance) C4'-P energy: -65.388
bonds (distance) P-C4' energy: -69.530
flat angles C4'-P-C4' energy: -61.405
flat angles P-C4'-P energy: -37.143
tors. eta vs tors. theta energy: 15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1318.314865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.314865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.314865 (E_RNA)
where:
Base-Base interactions energy: -870.430
where: short stacking energy: -365.203
Base-Backbone interact. energy: -1.184
local terms energy: -446.700397
where:
bonds (distance) C4'-P energy: -87.467
bonds (distance) P-C4' energy: -90.002
flat angles C4'-P-C4' energy: -93.713
flat angles P-C4'-P energy: -61.182
tors. eta vs tors. theta energy: -114.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1218.898243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.898243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.898243 (E_RNA)
where:
Base-Base interactions energy: -822.942
where: short stacking energy: -353.642
Base-Backbone interact. energy: 0.877
local terms energy: -396.833689
where:
bonds (distance) C4'-P energy: -73.260
bonds (distance) P-C4' energy: -79.310
flat angles C4'-P-C4' energy: -79.275
flat angles P-C4'-P energy: -58.465
tors. eta vs tors. theta energy: -106.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1220.315953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.315953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.315953 (E_RNA)
where:
Base-Base interactions energy: -817.028
where: short stacking energy: -343.121
Base-Backbone interact. energy: 2.244
local terms energy: -405.531842
where:
bonds (distance) C4'-P energy: -79.580
bonds (distance) P-C4' energy: -83.129
flat angles C4'-P-C4' energy: -85.445
flat angles P-C4'-P energy: -56.302
tors. eta vs tors. theta energy: -101.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1201.850011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.850011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.850011 (E_RNA)
where:
Base-Base interactions energy: -824.276
where: short stacking energy: -339.192
Base-Backbone interact. energy: -2.267
local terms energy: -375.307196
where:
bonds (distance) C4'-P energy: -73.738
bonds (distance) P-C4' energy: -67.655
flat angles C4'-P-C4' energy: -82.949
flat angles P-C4'-P energy: -56.826
tors. eta vs tors. theta energy: -94.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -981.469865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.469865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.469865 (E_RNA)
where:
Base-Base interactions energy: -644.741
where: short stacking energy: -287.938
Base-Backbone interact. energy: 3.495
local terms energy: -340.223620
where:
bonds (distance) C4'-P energy: -65.348
bonds (distance) P-C4' energy: -54.542
flat angles C4'-P-C4' energy: -88.072
flat angles P-C4'-P energy: -51.332
tors. eta vs tors. theta energy: -80.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -918.657236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.657236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.657236 (E_RNA)
where:
Base-Base interactions energy: -584.933
where: short stacking energy: -254.926
Base-Backbone interact. energy: 0.339
local terms energy: -334.062496
where:
bonds (distance) C4'-P energy: -70.236
bonds (distance) P-C4' energy: -70.421
flat angles C4'-P-C4' energy: -78.601
flat angles P-C4'-P energy: -35.947
tors. eta vs tors. theta energy: -78.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -759.700500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.700500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.700500 (E_RNA)
where:
Base-Base interactions energy: -474.069
where: short stacking energy: -218.945
Base-Backbone interact. energy: -0.422
local terms energy: -285.208894
where:
bonds (distance) C4'-P energy: -55.218
bonds (distance) P-C4' energy: -70.558
flat angles C4'-P-C4' energy: -66.901
flat angles P-C4'-P energy: -43.961
tors. eta vs tors. theta energy: -48.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -503.240600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.240600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.240600 (E_RNA)
where:
Base-Base interactions energy: -250.000
where: short stacking energy: -148.787
Base-Backbone interact. energy: -0.918
local terms energy: -252.323081
where:
bonds (distance) C4'-P energy: -54.473
bonds (distance) P-C4' energy: -74.405
flat angles C4'-P-C4' energy: -61.257
flat angles P-C4'-P energy: -46.234
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -413.013970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.013970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.013970 (E_RNA)
where:
Base-Base interactions energy: -181.374
where: short stacking energy: -113.156
Base-Backbone interact. energy: -0.816
local terms energy: -230.824118
where:
bonds (distance) C4'-P energy: -57.307
bonds (distance) P-C4' energy: -70.370
flat angles C4'-P-C4' energy: -65.300
flat angles P-C4'-P energy: -39.865
tors. eta vs tors. theta energy: 2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -305.060227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.060227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.060227 (E_RNA)
where:
Base-Base interactions energy: -94.942
where: short stacking energy: -87.161
Base-Backbone interact. energy: -1.783
local terms energy: -208.334731
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -68.661
flat angles C4'-P-C4' energy: -57.326
flat angles P-C4'-P energy: -41.824
tors. eta vs tors. theta energy: 13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1328.594186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.594186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.594186 (E_RNA)
where:
Base-Base interactions energy: -895.654
where: short stacking energy: -381.260
Base-Backbone interact. energy: -2.122
local terms energy: -430.817636
where:
bonds (distance) C4'-P energy: -83.522
bonds (distance) P-C4' energy: -82.238
flat angles C4'-P-C4' energy: -90.401
flat angles P-C4'-P energy: -60.030
tors. eta vs tors. theta energy: -114.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1226.947062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.947062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.947062 (E_RNA)
where:
Base-Base interactions energy: -824.933
where: short stacking energy: -357.012
Base-Backbone interact. energy: -0.751
local terms energy: -401.262736
where:
bonds (distance) C4'-P energy: -68.292
bonds (distance) P-C4' energy: -89.674
flat angles C4'-P-C4' energy: -80.895
flat angles P-C4'-P energy: -61.562
tors. eta vs tors. theta energy: -100.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1189.359915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.359915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.359915 (E_RNA)
where:
Base-Base interactions energy: -799.732
where: short stacking energy: -348.428
Base-Backbone interact. energy: -0.978
local terms energy: -388.649007
where:
bonds (distance) C4'-P energy: -73.323
bonds (distance) P-C4' energy: -72.031
flat angles C4'-P-C4' energy: -86.001
flat angles P-C4'-P energy: -55.950
tors. eta vs tors. theta energy: -101.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1212.003732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.003732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.003732 (E_RNA)
where:
Base-Base interactions energy: -821.874
where: short stacking energy: -322.735
Base-Backbone interact. energy: -2.546
local terms energy: -387.584007
where:
bonds (distance) C4'-P energy: -71.244
bonds (distance) P-C4' energy: -85.988
flat angles C4'-P-C4' energy: -82.741
flat angles P-C4'-P energy: -53.465
tors. eta vs tors. theta energy: -94.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -959.664964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.664964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.664964 (E_RNA)
where:
Base-Base interactions energy: -611.358
where: short stacking energy: -259.425
Base-Backbone interact. energy: 1.625
local terms energy: -349.931372
where:
bonds (distance) C4'-P energy: -76.328
bonds (distance) P-C4' energy: -78.493
flat angles C4'-P-C4' energy: -76.652
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: -70.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -901.079796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.079796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.079796 (E_RNA)
where:
Base-Base interactions energy: -545.155
where: short stacking energy: -243.128
Base-Backbone interact. energy: 1.976
local terms energy: -357.900623
where:
bonds (distance) C4'-P energy: -78.099
bonds (distance) P-C4' energy: -72.976
flat angles C4'-P-C4' energy: -77.783
flat angles P-C4'-P energy: -61.007
tors. eta vs tors. theta energy: -68.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -736.872017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.872017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.872017 (E_RNA)
where:
Base-Base interactions energy: -442.469
where: short stacking energy: -227.233
Base-Backbone interact. energy: -0.626
local terms energy: -293.776438
where:
bonds (distance) C4'-P energy: -79.522
bonds (distance) P-C4' energy: -68.452
flat angles C4'-P-C4' energy: -70.254
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -39.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -468.028892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.028892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.028892 (E_RNA)
where:
Base-Base interactions energy: -195.248
where: short stacking energy: -132.303
Base-Backbone interact. energy: -0.010
local terms energy: -272.770352
where:
bonds (distance) C4'-P energy: -79.927
bonds (distance) P-C4' energy: -61.313
flat angles C4'-P-C4' energy: -68.274
flat angles P-C4'-P energy: -41.045
tors. eta vs tors. theta energy: -22.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -343.407361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.407361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.407361 (E_RNA)
where:
Base-Base interactions energy: -125.294
where: short stacking energy: -92.937
Base-Backbone interact. energy: 2.931
local terms energy: -221.043667
where:
bonds (distance) C4'-P energy: -73.356
bonds (distance) P-C4' energy: -77.834
flat angles C4'-P-C4' energy: -47.154
flat angles P-C4'-P energy: -29.225
tors. eta vs tors. theta energy: 6.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -323.184104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.184104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.184104 (E_RNA)
where:
Base-Base interactions energy: -108.714
where: short stacking energy: -85.073
Base-Backbone interact. energy: -0.005
local terms energy: -214.465330
where:
bonds (distance) C4'-P energy: -64.021
bonds (distance) P-C4' energy: -68.422
flat angles C4'-P-C4' energy: -62.284
flat angles P-C4'-P energy: -36.934
tors. eta vs tors. theta energy: 17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1329.647317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.647317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.647317 (E_RNA)
where:
Base-Base interactions energy: -903.021
where: short stacking energy: -383.791
Base-Backbone interact. energy: -1.021
local terms energy: -425.604925
where:
bonds (distance) C4'-P energy: -76.525
bonds (distance) P-C4' energy: -81.954
flat angles C4'-P-C4' energy: -83.684
flat angles P-C4'-P energy: -61.422
tors. eta vs tors. theta energy: -122.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1221.524768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.524768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.524768 (E_RNA)
where:
Base-Base interactions energy: -819.531
where: short stacking energy: -344.992
Base-Backbone interact. energy: -1.709
local terms energy: -400.284944
where:
bonds (distance) C4'-P energy: -73.354
bonds (distance) P-C4' energy: -79.235
flat angles C4'-P-C4' energy: -88.992
flat angles P-C4'-P energy: -56.570
tors. eta vs tors. theta energy: -102.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1209.533043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.533043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.533043 (E_RNA)
where:
Base-Base interactions energy: -822.755
where: short stacking energy: -331.534
Base-Backbone interact. energy: -2.579
local terms energy: -384.199032
where:
bonds (distance) C4'-P energy: -80.365
bonds (distance) P-C4' energy: -78.665
flat angles C4'-P-C4' energy: -81.249
flat angles P-C4'-P energy: -49.509
tors. eta vs tors. theta energy: -94.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1118.080309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.080309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.080309 (E_RNA)
where:
Base-Base interactions energy: -747.938
where: short stacking energy: -318.526
Base-Backbone interact. energy: 2.609
local terms energy: -372.751817
where:
bonds (distance) C4'-P energy: -79.104
bonds (distance) P-C4' energy: -68.527
flat angles C4'-P-C4' energy: -71.112
flat angles P-C4'-P energy: -55.345
tors. eta vs tors. theta energy: -98.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -988.218884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.218884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.218884 (E_RNA)
where:
Base-Base interactions energy: -641.109
where: short stacking energy: -272.785
Base-Backbone interact. energy: -0.889
local terms energy: -346.220462
where:
bonds (distance) C4'-P energy: -74.285
bonds (distance) P-C4' energy: -77.908
flat angles C4'-P-C4' energy: -80.876
flat angles P-C4'-P energy: -47.386
tors. eta vs tors. theta energy: -65.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -866.143872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.143872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.143872 (E_RNA)
where:
Base-Base interactions energy: -562.802
where: short stacking energy: -241.501
Base-Backbone interact. energy: 2.417
local terms energy: -305.758630
where:
bonds (distance) C4'-P energy: -67.508
bonds (distance) P-C4' energy: -55.950
flat angles C4'-P-C4' energy: -77.849
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -60.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -764.068795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.068795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.068795 (E_RNA)
where:
Base-Base interactions energy: -475.167
where: short stacking energy: -216.246
Base-Backbone interact. energy: 0.285
local terms energy: -289.186656
where:
bonds (distance) C4'-P energy: -67.133
bonds (distance) P-C4' energy: -73.184
flat angles C4'-P-C4' energy: -68.570
flat angles P-C4'-P energy: -34.911
tors. eta vs tors. theta energy: -45.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -380.949416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.949416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.949416 (E_RNA)
where:
Base-Base interactions energy: -139.278
where: short stacking energy: -116.666
Base-Backbone interact. energy: 4.166
local terms energy: -245.837928
where:
bonds (distance) C4'-P energy: -69.918
bonds (distance) P-C4' energy: -73.667
flat angles C4'-P-C4' energy: -54.861
flat angles P-C4'-P energy: -42.115
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -354.910569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.910569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.910569 (E_RNA)
where:
Base-Base interactions energy: -126.675
where: short stacking energy: -89.531
Base-Backbone interact. energy: -0.862
local terms energy: -227.373350
where:
bonds (distance) C4'-P energy: -58.562
bonds (distance) P-C4' energy: -64.941
flat angles C4'-P-C4' energy: -65.761
flat angles P-C4'-P energy: -41.823
tors. eta vs tors. theta energy: 3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -315.337844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.337844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.337844 (E_RNA)
where:
Base-Base interactions energy: -107.006
where: short stacking energy: -72.210
Base-Backbone interact. energy: 2.633
local terms energy: -210.965037
where:
bonds (distance) C4'-P energy: -58.927
bonds (distance) P-C4' energy: -69.906
flat angles C4'-P-C4' energy: -51.344
flat angles P-C4'-P energy: -47.104
tors. eta vs tors. theta energy: 16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1337.872138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.872138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.872138 (E_RNA)
where:
Base-Base interactions energy: -909.689
where: short stacking energy: -393.410
Base-Backbone interact. energy: -2.927
local terms energy: -425.255841
where:
bonds (distance) C4'-P energy: -71.937
bonds (distance) P-C4' energy: -85.916
flat angles C4'-P-C4' energy: -98.502
flat angles P-C4'-P energy: -52.708
tors. eta vs tors. theta energy: -116.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1244.542836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.542836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.542836 (E_RNA)
where:
Base-Base interactions energy: -829.756
where: short stacking energy: -341.259
Base-Backbone interact. energy: -2.539
local terms energy: -412.247820
where:
bonds (distance) C4'-P energy: -78.452
bonds (distance) P-C4' energy: -80.407
flat angles C4'-P-C4' energy: -93.255
flat angles P-C4'-P energy: -56.250
tors. eta vs tors. theta energy: -103.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1255.898939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.898939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.898939 (E_RNA)
where:
Base-Base interactions energy: -871.103
where: short stacking energy: -338.607
Base-Backbone interact. energy: -0.559
local terms energy: -384.237339
where:
bonds (distance) C4'-P energy: -65.128
bonds (distance) P-C4' energy: -67.213
flat angles C4'-P-C4' energy: -93.302
flat angles P-C4'-P energy: -56.500
tors. eta vs tors. theta energy: -102.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1096.404677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.404677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.404677 (E_RNA)
where:
Base-Base interactions energy: -729.455
where: short stacking energy: -320.977
Base-Backbone interact. energy: 3.434
local terms energy: -370.383668
where:
bonds (distance) C4'-P energy: -82.057
bonds (distance) P-C4' energy: -71.280
flat angles C4'-P-C4' energy: -75.806
flat angles P-C4'-P energy: -51.555
tors. eta vs tors. theta energy: -89.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -968.848801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.848801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.848801 (E_RNA)
where:
Base-Base interactions energy: -627.470
where: short stacking energy: -271.825
Base-Backbone interact. energy: -0.269
local terms energy: -341.109671
where:
bonds (distance) C4'-P energy: -79.038
bonds (distance) P-C4' energy: -69.098
flat angles C4'-P-C4' energy: -69.492
flat angles P-C4'-P energy: -50.812
tors. eta vs tors. theta energy: -72.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -926.363884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.363884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.363884 (E_RNA)
where:
Base-Base interactions energy: -598.819
where: short stacking energy: -257.858
Base-Backbone interact. energy: 1.792
local terms energy: -329.336536
where:
bonds (distance) C4'-P energy: -62.053
bonds (distance) P-C4' energy: -76.794
flat angles C4'-P-C4' energy: -77.054
flat angles P-C4'-P energy: -39.504
tors. eta vs tors. theta energy: -73.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -725.325273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.325273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.325273 (E_RNA)
where:
Base-Base interactions energy: -427.595
where: short stacking energy: -193.897
Base-Backbone interact. energy: 2.069
local terms energy: -299.799331
where:
bonds (distance) C4'-P energy: -73.845
bonds (distance) P-C4' energy: -73.949
flat angles C4'-P-C4' energy: -77.684
flat angles P-C4'-P energy: -23.632
tors. eta vs tors. theta energy: -50.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -396.589358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.589358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.589358 (E_RNA)
where:
Base-Base interactions energy: -168.591
where: short stacking energy: -121.401
Base-Backbone interact. energy: -1.427
local terms energy: -226.570501
where:
bonds (distance) C4'-P energy: -62.958
bonds (distance) P-C4' energy: -69.633
flat angles C4'-P-C4' energy: -58.361
flat angles P-C4'-P energy: -36.662
tors. eta vs tors. theta energy: 1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -378.388167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.388167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.388167 (E_RNA)
where:
Base-Base interactions energy: -160.519
where: short stacking energy: -79.868
Base-Backbone interact. energy: 2.853
local terms energy: -220.722190
where:
bonds (distance) C4'-P energy: -71.603
bonds (distance) P-C4' energy: -64.797
flat angles C4'-P-C4' energy: -49.324
flat angles P-C4'-P energy: -40.749
tors. eta vs tors. theta energy: 5.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -319.222792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.222792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.222792 (E_RNA)
where:
Base-Base interactions energy: -98.981
where: short stacking energy: -91.064
Base-Backbone interact. energy: -1.087
local terms energy: -219.154954
where:
bonds (distance) C4'-P energy: -66.603
bonds (distance) P-C4' energy: -55.798
flat angles C4'-P-C4' energy: -57.680
flat angles P-C4'-P energy: -37.627
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1299.170649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.170649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.170649 (E_RNA)
where:
Base-Base interactions energy: -878.714
where: short stacking energy: -387.074
Base-Backbone interact. energy: -2.207
local terms energy: -418.249442
where:
bonds (distance) C4'-P energy: -78.510
bonds (distance) P-C4' energy: -80.319
flat angles C4'-P-C4' energy: -87.173
flat angles P-C4'-P energy: -52.468
tors. eta vs tors. theta energy: -119.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1285.333970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.333970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.333970 (E_RNA)
where:
Base-Base interactions energy: -869.461
where: short stacking energy: -369.185
Base-Backbone interact. energy: -2.455
local terms energy: -413.417949
where:
bonds (distance) C4'-P energy: -75.538
bonds (distance) P-C4' energy: -84.402
flat angles C4'-P-C4' energy: -84.116
flat angles P-C4'-P energy: -61.449
tors. eta vs tors. theta energy: -107.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1237.382138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.382138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.382138 (E_RNA)
where:
Base-Base interactions energy: -836.841
where: short stacking energy: -353.299
Base-Backbone interact. energy: -3.263
local terms energy: -397.277922
where:
bonds (distance) C4'-P energy: -67.739
bonds (distance) P-C4' energy: -73.040
flat angles C4'-P-C4' energy: -94.265
flat angles P-C4'-P energy: -59.040
tors. eta vs tors. theta energy: -103.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1090.802353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.802353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.802353 (E_RNA)
where:
Base-Base interactions energy: -728.498
where: short stacking energy: -317.635
Base-Backbone interact. energy: -2.248
local terms energy: -360.056076
where:
bonds (distance) C4'-P energy: -66.873
bonds (distance) P-C4' energy: -77.671
flat angles C4'-P-C4' energy: -76.056
flat angles P-C4'-P energy: -46.903
tors. eta vs tors. theta energy: -92.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -958.384637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.384637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.384637 (E_RNA)
where:
Base-Base interactions energy: -633.547
where: short stacking energy: -266.871
Base-Backbone interact. energy: -4.253
local terms energy: -320.585435
where:
bonds (distance) C4'-P energy: -71.982
bonds (distance) P-C4' energy: -65.701
flat angles C4'-P-C4' energy: -72.143
flat angles P-C4'-P energy: -44.186
tors. eta vs tors. theta energy: -66.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -905.575252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.575252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.575252 (E_RNA)
where:
Base-Base interactions energy: -552.881
where: short stacking energy: -265.253
Base-Backbone interact. energy: -1.121
local terms energy: -351.573716
where:
bonds (distance) C4'-P energy: -65.668
bonds (distance) P-C4' energy: -72.962
flat angles C4'-P-C4' energy: -81.689
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -83.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -765.923506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.923506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.923506 (E_RNA)
where:
Base-Base interactions energy: -450.546
where: short stacking energy: -216.631
Base-Backbone interact. energy: 0.670
local terms energy: -316.047081
where:
bonds (distance) C4'-P energy: -77.062
bonds (distance) P-C4' energy: -63.757
flat angles C4'-P-C4' energy: -67.046
flat angles P-C4'-P energy: -51.227
tors. eta vs tors. theta energy: -56.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -411.849420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.849420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.849420 (E_RNA)
where:
Base-Base interactions energy: -183.310
where: short stacking energy: -121.114
Base-Backbone interact. energy: -1.952
local terms energy: -226.586679
where:
bonds (distance) C4'-P energy: -68.573
bonds (distance) P-C4' energy: -48.069
flat angles C4'-P-C4' energy: -63.572
flat angles P-C4'-P energy: -35.376
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -368.077379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.077379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.077379 (E_RNA)
where:
Base-Base interactions energy: -132.379
where: short stacking energy: -104.089
Base-Backbone interact. energy: 3.337
local terms energy: -239.035095
where:
bonds (distance) C4'-P energy: -61.498
bonds (distance) P-C4' energy: -76.959
flat angles C4'-P-C4' energy: -52.051
flat angles P-C4'-P energy: -46.719
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -314.121441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.121441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.121441 (E_RNA)
where:
Base-Base interactions energy: -107.087
where: short stacking energy: -102.265
Base-Backbone interact. energy: -1.512
local terms energy: -205.522593
where:
bonds (distance) C4'-P energy: -71.927
bonds (distance) P-C4' energy: -59.500
flat angles C4'-P-C4' energy: -49.964
flat angles P-C4'-P energy: -36.167
tors. eta vs tors. theta energy: 12.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1338.842975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.842975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.842975 (E_RNA)
where:
Base-Base interactions energy: -911.049
where: short stacking energy: -384.629
Base-Backbone interact. energy: -2.642
local terms energy: -425.152006
where:
bonds (distance) C4'-P energy: -80.085
bonds (distance) P-C4' energy: -83.743
flat angles C4'-P-C4' energy: -84.514
flat angles P-C4'-P energy: -61.717
tors. eta vs tors. theta energy: -115.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1252.241129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.241129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.241129 (E_RNA)
where:
Base-Base interactions energy: -876.806
where: short stacking energy: -353.998
Base-Backbone interact. energy: 0.420
local terms energy: -375.855194
where:
bonds (distance) C4'-P energy: -63.730
bonds (distance) P-C4' energy: -76.317
flat angles C4'-P-C4' energy: -81.099
flat angles P-C4'-P energy: -46.066
tors. eta vs tors. theta energy: -108.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1272.841335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.841335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.841335 (E_RNA)
where:
Base-Base interactions energy: -860.576
where: short stacking energy: -361.729
Base-Backbone interact. energy: -0.664
local terms energy: -411.601811
where:
bonds (distance) C4'-P energy: -71.995
bonds (distance) P-C4' energy: -78.982
flat angles C4'-P-C4' energy: -90.922
flat angles P-C4'-P energy: -54.108
tors. eta vs tors. theta energy: -115.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1049.517089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.517089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.517089 (E_RNA)
where:
Base-Base interactions energy: -677.580
where: short stacking energy: -297.381
Base-Backbone interact. energy: -0.887
local terms energy: -371.049726
where:
bonds (distance) C4'-P energy: -70.467
bonds (distance) P-C4' energy: -70.899
flat angles C4'-P-C4' energy: -91.573
flat angles P-C4'-P energy: -60.057
tors. eta vs tors. theta energy: -78.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -965.135557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.135557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.135557 (E_RNA)
where:
Base-Base interactions energy: -635.447
where: short stacking energy: -256.680
Base-Backbone interact. energy: -2.752
local terms energy: -326.936147
where:
bonds (distance) C4'-P energy: -72.515
bonds (distance) P-C4' energy: -65.644
flat angles C4'-P-C4' energy: -74.703
flat angles P-C4'-P energy: -51.372
tors. eta vs tors. theta energy: -62.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -899.731020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.731020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.731020 (E_RNA)
where:
Base-Base interactions energy: -569.932
where: short stacking energy: -273.120
Base-Backbone interact. energy: 0.939
local terms energy: -330.738541
where:
bonds (distance) C4'-P energy: -58.953
bonds (distance) P-C4' energy: -77.048
flat angles C4'-P-C4' energy: -73.711
flat angles P-C4'-P energy: -49.016
tors. eta vs tors. theta energy: -72.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -778.268467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.268467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.268467 (E_RNA)
where:
Base-Base interactions energy: -480.335
where: short stacking energy: -216.644
Base-Backbone interact. energy: 0.365
local terms energy: -298.298474
where:
bonds (distance) C4'-P energy: -70.270
bonds (distance) P-C4' energy: -52.925
flat angles C4'-P-C4' energy: -74.944
flat angles P-C4'-P energy: -47.459
tors. eta vs tors. theta energy: -52.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -459.763902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.763902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.763902 (E_RNA)
where:
Base-Base interactions energy: -232.451
where: short stacking energy: -138.319
Base-Backbone interact. energy: -0.478
local terms energy: -226.835625
where:
bonds (distance) C4'-P energy: -59.588
bonds (distance) P-C4' energy: -61.375
flat angles C4'-P-C4' energy: -59.900
flat angles P-C4'-P energy: -42.160
tors. eta vs tors. theta energy: -3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -328.691631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.691631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.691631 (E_RNA)
where:
Base-Base interactions energy: -100.308
where: short stacking energy: -85.385
Base-Backbone interact. energy: -0.551
local terms energy: -227.832771
where:
bonds (distance) C4'-P energy: -58.039
bonds (distance) P-C4' energy: -69.070
flat angles C4'-P-C4' energy: -65.604
flat angles P-C4'-P energy: -37.096
tors. eta vs tors. theta energy: 1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -313.350210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.350210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.350210 (E_RNA)
where:
Base-Base interactions energy: -122.907
where: short stacking energy: -102.714
Base-Backbone interact. energy: 1.542
local terms energy: -191.985102
where:
bonds (distance) C4'-P energy: -67.583
bonds (distance) P-C4' energy: -68.305
flat angles C4'-P-C4' energy: -44.736
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: 11.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1333.500859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.500859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.500859 (E_RNA)
where:
Base-Base interactions energy: -925.054
where: short stacking energy: -396.838
Base-Backbone interact. energy: -3.634
local terms energy: -404.812481
where:
bonds (distance) C4'-P energy: -73.630
bonds (distance) P-C4' energy: -78.874
flat angles C4'-P-C4' energy: -85.703
flat angles P-C4'-P energy: -48.764
tors. eta vs tors. theta energy: -117.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1258.833032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.833032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.833032 (E_RNA)
where:
Base-Base interactions energy: -855.554
where: short stacking energy: -376.485
Base-Backbone interact. energy: -0.939
local terms energy: -402.339738
where:
bonds (distance) C4'-P energy: -72.268
bonds (distance) P-C4' energy: -78.817
flat angles C4'-P-C4' energy: -89.180
flat angles P-C4'-P energy: -60.826
tors. eta vs tors. theta energy: -101.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1251.294526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.294526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.294526 (E_RNA)
where:
Base-Base interactions energy: -847.714
where: short stacking energy: -355.493
Base-Backbone interact. energy: -1.290
local terms energy: -402.289742
where:
bonds (distance) C4'-P energy: -67.332
bonds (distance) P-C4' energy: -72.882
flat angles C4'-P-C4' energy: -92.057
flat angles P-C4'-P energy: -62.894
tors. eta vs tors. theta energy: -107.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1112.129120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.129120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.129120 (E_RNA)
where:
Base-Base interactions energy: -743.202
where: short stacking energy: -310.872
Base-Backbone interact. energy: -1.926
local terms energy: -367.001132
where:
bonds (distance) C4'-P energy: -73.991
bonds (distance) P-C4' energy: -83.164
flat angles C4'-P-C4' energy: -76.736
flat angles P-C4'-P energy: -47.648
tors. eta vs tors. theta energy: -85.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -944.233452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.233452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.233452 (E_RNA)
where:
Base-Base interactions energy: -613.866
where: short stacking energy: -275.132
Base-Backbone interact. energy: -1.409
local terms energy: -328.957953
where:
bonds (distance) C4'-P energy: -69.698
bonds (distance) P-C4' energy: -69.667
flat angles C4'-P-C4' energy: -80.943
flat angles P-C4'-P energy: -40.768
tors. eta vs tors. theta energy: -67.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -893.360689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.360689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.360689 (E_RNA)
where:
Base-Base interactions energy: -566.640
where: short stacking energy: -254.703
Base-Backbone interact. energy: 0.415
local terms energy: -327.135638
where:
bonds (distance) C4'-P energy: -74.336
bonds (distance) P-C4' energy: -68.563
flat angles C4'-P-C4' energy: -71.125
flat angles P-C4'-P energy: -39.784
tors. eta vs tors. theta energy: -73.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -722.074576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.074576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.074576 (E_RNA)
where:
Base-Base interactions energy: -435.178
where: short stacking energy: -187.382
Base-Backbone interact. energy: -2.060
local terms energy: -284.836565
where:
bonds (distance) C4'-P energy: -68.261
bonds (distance) P-C4' energy: -65.769
flat angles C4'-P-C4' energy: -61.602
flat angles P-C4'-P energy: -46.759
tors. eta vs tors. theta energy: -42.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -454.942529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.942529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.942529 (E_RNA)
where:
Base-Base interactions energy: -202.600
where: short stacking energy: -129.320
Base-Backbone interact. energy: 5.123
local terms energy: -257.466013
where:
bonds (distance) C4'-P energy: -66.205
bonds (distance) P-C4' energy: -77.812
flat angles C4'-P-C4' energy: -60.941
flat angles P-C4'-P energy: -38.800
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -325.243960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.243960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.243960 (E_RNA)
where:
Base-Base interactions energy: -87.433
where: short stacking energy: -70.019
Base-Backbone interact. energy: -4.280
local terms energy: -233.530758
where:
bonds (distance) C4'-P energy: -67.116
bonds (distance) P-C4' energy: -76.208
flat angles C4'-P-C4' energy: -75.076
flat angles P-C4'-P energy: -34.133
tors. eta vs tors. theta energy: 19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -318.028110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.028110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.028110 (E_RNA)
where:
Base-Base interactions energy: -86.828
where: short stacking energy: -79.104
Base-Backbone interact. energy: 5.053
local terms energy: -236.252857
where:
bonds (distance) C4'-P energy: -67.446
bonds (distance) P-C4' energy: -74.738
flat angles C4'-P-C4' energy: -63.324
flat angles P-C4'-P energy: -34.005
tors. eta vs tors. theta energy: 3.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1317.726595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.726595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.726595 (E_RNA)
where:
Base-Base interactions energy: -903.747
where: short stacking energy: -385.607
Base-Backbone interact. energy: -2.162
local terms energy: -411.818044
where:
bonds (distance) C4'-P energy: -80.906
bonds (distance) P-C4' energy: -76.170
flat angles C4'-P-C4' energy: -81.252
flat angles P-C4'-P energy: -59.294
tors. eta vs tors. theta energy: -114.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1282.228054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.228054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.228054 (E_RNA)
where:
Base-Base interactions energy: -871.323
where: short stacking energy: -368.957
Base-Backbone interact. energy: -1.541
local terms energy: -409.363673
where:
bonds (distance) C4'-P energy: -86.363
bonds (distance) P-C4' energy: -74.191
flat angles C4'-P-C4' energy: -84.287
flat angles P-C4'-P energy: -56.165
tors. eta vs tors. theta energy: -108.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1257.032165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.032165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.032165 (E_RNA)
where:
Base-Base interactions energy: -836.667
where: short stacking energy: -347.013
Base-Backbone interact. energy: -1.192
local terms energy: -419.172992
where:
bonds (distance) C4'-P energy: -71.254
bonds (distance) P-C4' energy: -78.148
flat angles C4'-P-C4' energy: -89.055
flat angles P-C4'-P energy: -74.814
tors. eta vs tors. theta energy: -105.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1150.786854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.786854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.786854 (E_RNA)
where:
Base-Base interactions energy: -785.429
where: short stacking energy: -350.700
Base-Backbone interact. energy: 0.312
local terms energy: -365.670122
where:
bonds (distance) C4'-P energy: -74.134
bonds (distance) P-C4' energy: -58.025
flat angles C4'-P-C4' energy: -84.541
flat angles P-C4'-P energy: -51.464
tors. eta vs tors. theta energy: -97.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -936.042190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.042190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.042190 (E_RNA)
where:
Base-Base interactions energy: -600.481
where: short stacking energy: -261.992
Base-Backbone interact. energy: -1.583
local terms energy: -333.978425
where:
bonds (distance) C4'-P energy: -77.526
bonds (distance) P-C4' energy: -78.654
flat angles C4'-P-C4' energy: -68.975
flat angles P-C4'-P energy: -39.964
tors. eta vs tors. theta energy: -68.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -924.248531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.248531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.248531 (E_RNA)
where:
Base-Base interactions energy: -599.080
where: short stacking energy: -263.329
Base-Backbone interact. energy: 2.183
local terms energy: -327.351939
where:
bonds (distance) C4'-P energy: -64.851
bonds (distance) P-C4' energy: -73.330
flat angles C4'-P-C4' energy: -80.071
flat angles P-C4'-P energy: -36.747
tors. eta vs tors. theta energy: -72.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -717.221875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.221875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.221875 (E_RNA)
where:
Base-Base interactions energy: -447.121
where: short stacking energy: -211.547
Base-Backbone interact. energy: -0.404
local terms energy: -269.697669
where:
bonds (distance) C4'-P energy: -65.178
bonds (distance) P-C4' energy: -58.044
flat angles C4'-P-C4' energy: -53.926
flat angles P-C4'-P energy: -40.087
tors. eta vs tors. theta energy: -52.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -433.874725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.874725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.874725 (E_RNA)
where:
Base-Base interactions energy: -202.880
where: short stacking energy: -135.951
Base-Backbone interact. energy: -2.641
local terms energy: -228.354031
where:
bonds (distance) C4'-P energy: -65.265
bonds (distance) P-C4' energy: -73.955
flat angles C4'-P-C4' energy: -71.553
flat angles P-C4'-P energy: -27.691
tors. eta vs tors. theta energy: 10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -334.593595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.593595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.593595 (E_RNA)
where:
Base-Base interactions energy: -118.059
where: short stacking energy: -81.635
Base-Backbone interact. energy: -0.904
local terms energy: -215.630553
where:
bonds (distance) C4'-P energy: -50.816
bonds (distance) P-C4' energy: -77.201
flat angles C4'-P-C4' energy: -68.133
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: 13.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -316.278390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.278390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.278390 (E_RNA)
where:
Base-Base interactions energy: -117.847
where: short stacking energy: -103.662
Base-Backbone interact. energy: 1.207
local terms energy: -199.637790
where:
bonds (distance) C4'-P energy: -57.414
bonds (distance) P-C4' energy: -74.749
flat angles C4'-P-C4' energy: -50.038
flat angles P-C4'-P energy: -31.448
tors. eta vs tors. theta energy: 14.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1304.648111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.648111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.648111 (E_RNA)
where:
Base-Base interactions energy: -883.341
where: short stacking energy: -373.617
Base-Backbone interact. energy: -3.242
local terms energy: -418.065154
where:
bonds (distance) C4'-P energy: -81.718
bonds (distance) P-C4' energy: -80.854
flat angles C4'-P-C4' energy: -89.495
flat angles P-C4'-P energy: -52.292
tors. eta vs tors. theta energy: -113.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1300.966123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.966123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.966123 (E_RNA)
where:
Base-Base interactions energy: -873.042
where: short stacking energy: -373.526
Base-Backbone interact. energy: 1.065
local terms energy: -428.989036
where:
bonds (distance) C4'-P energy: -81.195
bonds (distance) P-C4' energy: -76.964
flat angles C4'-P-C4' energy: -87.303
flat angles P-C4'-P energy: -64.050
tors. eta vs tors. theta energy: -119.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1261.660947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.660947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.660947 (E_RNA)
where:
Base-Base interactions energy: -856.885
where: short stacking energy: -342.524
Base-Backbone interact. energy: -3.338
local terms energy: -401.437648
where:
bonds (distance) C4'-P energy: -73.977
bonds (distance) P-C4' energy: -85.230
flat angles C4'-P-C4' energy: -87.719
flat angles P-C4'-P energy: -51.662
tors. eta vs tors. theta energy: -102.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1082.233904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.233904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.233904 (E_RNA)
where:
Base-Base interactions energy: -709.676
where: short stacking energy: -293.437
Base-Backbone interact. energy: -0.457
local terms energy: -372.101535
where:
bonds (distance) C4'-P energy: -65.163
bonds (distance) P-C4' energy: -88.115
flat angles C4'-P-C4' energy: -84.038
flat angles P-C4'-P energy: -52.007
tors. eta vs tors. theta energy: -82.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -898.561307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.561307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.561307 (E_RNA)
where:
Base-Base interactions energy: -567.767
where: short stacking energy: -272.492
Base-Backbone interact. energy: 0.180
local terms energy: -330.973422
where:
bonds (distance) C4'-P energy: -61.141
bonds (distance) P-C4' energy: -74.654
flat angles C4'-P-C4' energy: -81.923
flat angles P-C4'-P energy: -42.203
tors. eta vs tors. theta energy: -71.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -869.021463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.021463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.021463 (E_RNA)
where:
Base-Base interactions energy: -541.078
where: short stacking energy: -242.918
Base-Backbone interact. energy: -0.187
local terms energy: -327.756324
where:
bonds (distance) C4'-P energy: -58.039
bonds (distance) P-C4' energy: -80.438
flat angles C4'-P-C4' energy: -75.619
flat angles P-C4'-P energy: -50.600
tors. eta vs tors. theta energy: -63.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -623.608283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.608283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.608283 (E_RNA)
where:
Base-Base interactions energy: -344.357
where: short stacking energy: -174.522
Base-Backbone interact. energy: -2.895
local terms energy: -276.356735
where:
bonds (distance) C4'-P energy: -69.009
bonds (distance) P-C4' energy: -68.790
flat angles C4'-P-C4' energy: -65.921
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -451.282961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.282961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.282961 (E_RNA)
where:
Base-Base interactions energy: -219.538
where: short stacking energy: -155.319
Base-Backbone interact. energy: -1.099
local terms energy: -230.645886
where:
bonds (distance) C4'-P energy: -55.503
bonds (distance) P-C4' energy: -81.835
flat angles C4'-P-C4' energy: -56.176
flat angles P-C4'-P energy: -32.944
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -344.459950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.459950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.459950 (E_RNA)
where:
Base-Base interactions energy: -107.017
where: short stacking energy: -87.398
Base-Backbone interact. energy: 4.120
local terms energy: -241.563505
where:
bonds (distance) C4'-P energy: -67.070
bonds (distance) P-C4' energy: -84.284
flat angles C4'-P-C4' energy: -58.205
flat angles P-C4'-P energy: -39.482
tors. eta vs tors. theta energy: 7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -325.172271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.172271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.172271 (E_RNA)
where:
Base-Base interactions energy: -108.458
where: short stacking energy: -55.781
Base-Backbone interact. energy: -2.295
local terms energy: -214.418566
where:
bonds (distance) C4'-P energy: -63.849
bonds (distance) P-C4' energy: -78.850
flat angles C4'-P-C4' energy: -50.696
flat angles P-C4'-P energy: -44.132
tors. eta vs tors. theta energy: 23.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1299.987319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.987319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.987319 (E_RNA)
where:
Base-Base interactions energy: -878.537
where: short stacking energy: -376.411
Base-Backbone interact. energy: -1.339
local terms energy: -420.110987
where:
bonds (distance) C4'-P energy: -87.366
bonds (distance) P-C4' energy: -70.086
flat angles C4'-P-C4' energy: -88.242
flat angles P-C4'-P energy: -62.815
tors. eta vs tors. theta energy: -111.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1290.680824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.680824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.680824 (E_RNA)
where:
Base-Base interactions energy: -863.715
where: short stacking energy: -366.528
Base-Backbone interact. energy: 1.791
local terms energy: -428.756776
where:
bonds (distance) C4'-P energy: -75.311
bonds (distance) P-C4' energy: -81.907
flat angles C4'-P-C4' energy: -94.467
flat angles P-C4'-P energy: -60.983
tors. eta vs tors. theta energy: -116.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1251.175443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.175443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.175443 (E_RNA)
where:
Base-Base interactions energy: -845.029
where: short stacking energy: -351.865
Base-Backbone interact. energy: -1.019
local terms energy: -405.127639
where:
bonds (distance) C4'-P energy: -85.622
bonds (distance) P-C4' energy: -77.414
flat angles C4'-P-C4' energy: -82.803
flat angles P-C4'-P energy: -52.657
tors. eta vs tors. theta energy: -106.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1090.429768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.429768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.429768 (E_RNA)
where:
Base-Base interactions energy: -719.408
where: short stacking energy: -315.071
Base-Backbone interact. energy: -1.410
local terms energy: -369.611653
where:
bonds (distance) C4'-P energy: -80.058
bonds (distance) P-C4' energy: -72.123
flat angles C4'-P-C4' energy: -83.370
flat angles P-C4'-P energy: -54.998
tors. eta vs tors. theta energy: -79.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -882.600543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.600543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.600543 (E_RNA)
where:
Base-Base interactions energy: -549.154
where: short stacking energy: -254.037
Base-Backbone interact. energy: -0.736
local terms energy: -332.710065
where:
bonds (distance) C4'-P energy: -68.233
bonds (distance) P-C4' energy: -72.130
flat angles C4'-P-C4' energy: -83.295
flat angles P-C4'-P energy: -45.798
tors. eta vs tors. theta energy: -63.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -915.386409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.386409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.386409 (E_RNA)
where:
Base-Base interactions energy: -609.828
where: short stacking energy: -267.322
Base-Backbone interact. energy: 3.637
local terms energy: -309.195419
where:
bonds (distance) C4'-P energy: -59.764
bonds (distance) P-C4' energy: -76.872
flat angles C4'-P-C4' energy: -70.627
flat angles P-C4'-P energy: -41.586
tors. eta vs tors. theta energy: -60.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -610.715468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.715468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.715468 (E_RNA)
where:
Base-Base interactions energy: -344.014
where: short stacking energy: -179.831
Base-Backbone interact. energy: 0.220
local terms energy: -266.921570
where:
bonds (distance) C4'-P energy: -68.187
bonds (distance) P-C4' energy: -74.083
flat angles C4'-P-C4' energy: -55.302
flat angles P-C4'-P energy: -48.742
tors. eta vs tors. theta energy: -20.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -439.135520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.135520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.135520 (E_RNA)
where:
Base-Base interactions energy: -208.379
where: short stacking energy: -140.491
Base-Backbone interact. energy: 3.121
local terms energy: -233.877204
where:
bonds (distance) C4'-P energy: -60.648
bonds (distance) P-C4' energy: -71.211
flat angles C4'-P-C4' energy: -53.570
flat angles P-C4'-P energy: -33.736
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -326.714571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.714571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.714571 (E_RNA)
where:
Base-Base interactions energy: -107.399
where: short stacking energy: -106.856
Base-Backbone interact. energy: 1.166
local terms energy: -220.481491
where:
bonds (distance) C4'-P energy: -63.830
bonds (distance) P-C4' energy: -73.250
flat angles C4'-P-C4' energy: -52.744
flat angles P-C4'-P energy: -36.800
tors. eta vs tors. theta energy: 6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -317.833345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.833345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.833345 (E_RNA)
where:
Base-Base interactions energy: -99.420
where: short stacking energy: -83.165
Base-Backbone interact. energy: 1.506
local terms energy: -219.919300
where:
bonds (distance) C4'-P energy: -58.633
bonds (distance) P-C4' energy: -73.999
flat angles C4'-P-C4' energy: -73.579
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: 10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1291.187350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.187350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.187350 (E_RNA)
where:
Base-Base interactions energy: -869.525
where: short stacking energy: -380.826
Base-Backbone interact. energy: 2.148
local terms energy: -423.810286
where:
bonds (distance) C4'-P energy: -78.431
bonds (distance) P-C4' energy: -81.120
flat angles C4'-P-C4' energy: -87.660
flat angles P-C4'-P energy: -63.885
tors. eta vs tors. theta energy: -112.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1295.455351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.455351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.455351 (E_RNA)
where:
Base-Base interactions energy: -893.242
where: short stacking energy: -366.612
Base-Backbone interact. energy: -0.328
local terms energy: -401.885597
where:
bonds (distance) C4'-P energy: -81.487
bonds (distance) P-C4' energy: -74.031
flat angles C4'-P-C4' energy: -78.106
flat angles P-C4'-P energy: -53.985
tors. eta vs tors. theta energy: -114.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1242.453928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.453928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.453928 (E_RNA)
where:
Base-Base interactions energy: -838.169
where: short stacking energy: -369.437
Base-Backbone interact. energy: -1.198
local terms energy: -403.087469
where:
bonds (distance) C4'-P energy: -69.845
bonds (distance) P-C4' energy: -77.498
flat angles C4'-P-C4' energy: -82.047
flat angles P-C4'-P energy: -60.398
tors. eta vs tors. theta energy: -113.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1127.592533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.592533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.592533 (E_RNA)
where:
Base-Base interactions energy: -748.695
where: short stacking energy: -351.498
Base-Backbone interact. energy: -0.346
local terms energy: -378.552345
where:
bonds (distance) C4'-P energy: -65.456
bonds (distance) P-C4' energy: -73.190
flat angles C4'-P-C4' energy: -80.907
flat angles P-C4'-P energy: -51.281
tors. eta vs tors. theta energy: -107.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -965.800114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.800114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.800114 (E_RNA)
where:
Base-Base interactions energy: -633.139
where: short stacking energy: -273.228
Base-Backbone interact. energy: 0.646
local terms energy: -333.307524
where:
bonds (distance) C4'-P energy: -69.198
bonds (distance) P-C4' energy: -77.130
flat angles C4'-P-C4' energy: -75.635
flat angles P-C4'-P energy: -45.278
tors. eta vs tors. theta energy: -66.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -886.029090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.029090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.029090 (E_RNA)
where:
Base-Base interactions energy: -555.780
where: short stacking energy: -258.188
Base-Backbone interact. energy: -2.687
local terms energy: -327.562440
where:
bonds (distance) C4'-P energy: -77.897
bonds (distance) P-C4' energy: -80.475
flat angles C4'-P-C4' energy: -63.153
flat angles P-C4'-P energy: -42.059
tors. eta vs tors. theta energy: -63.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -673.441003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.441003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.441003 (E_RNA)
where:
Base-Base interactions energy: -364.499
where: short stacking energy: -197.005
Base-Backbone interact. energy: -0.638
local terms energy: -308.304342
where:
bonds (distance) C4'-P energy: -69.081
bonds (distance) P-C4' energy: -71.212
flat angles C4'-P-C4' energy: -70.606
flat angles P-C4'-P energy: -47.027
tors. eta vs tors. theta energy: -50.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -438.866817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.866817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.866817 (E_RNA)
where:
Base-Base interactions energy: -205.533
where: short stacking energy: -111.323
Base-Backbone interact. energy: 1.346
local terms energy: -234.679277
where:
bonds (distance) C4'-P energy: -65.430
bonds (distance) P-C4' energy: -74.293
flat angles C4'-P-C4' energy: -58.690
flat angles P-C4'-P energy: -37.158
tors. eta vs tors. theta energy: 0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -320.390742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.390742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.390742 (E_RNA)
where:
Base-Base interactions energy: -122.533
where: short stacking energy: -86.445
Base-Backbone interact. energy: -2.415
local terms energy: -195.442993
where:
bonds (distance) C4'-P energy: -68.239
bonds (distance) P-C4' energy: -63.786
flat angles C4'-P-C4' energy: -55.375
flat angles P-C4'-P energy: -28.411
tors. eta vs tors. theta energy: 20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -354.961753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.961753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.961753 (E_RNA)
where:
Base-Base interactions energy: -140.513
where: short stacking energy: -96.310
Base-Backbone interact. energy: 0.028
local terms energy: -214.476343
where:
bonds (distance) C4'-P energy: -58.053
bonds (distance) P-C4' energy: -79.390
flat angles C4'-P-C4' energy: -48.573
flat angles P-C4'-P energy: -38.395
tors. eta vs tors. theta energy: 9.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1315.610239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.610239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.610239 (E_RNA)
where:
Base-Base interactions energy: -892.321
where: short stacking energy: -390.390
Base-Backbone interact. energy: -1.021
local terms energy: -422.267700
where:
bonds (distance) C4'-P energy: -79.076
bonds (distance) P-C4' energy: -79.418
flat angles C4'-P-C4' energy: -90.142
flat angles P-C4'-P energy: -60.689
tors. eta vs tors. theta energy: -112.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1259.201187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.201187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.201187 (E_RNA)
where:
Base-Base interactions energy: -841.010
where: short stacking energy: -365.772
Base-Backbone interact. energy: -1.603
local terms energy: -416.588507
where:
bonds (distance) C4'-P energy: -76.533
bonds (distance) P-C4' energy: -78.386
flat angles C4'-P-C4' energy: -87.888
flat angles P-C4'-P energy: -55.463
tors. eta vs tors. theta energy: -118.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1232.643706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.643706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.643706 (E_RNA)
where:
Base-Base interactions energy: -822.524
where: short stacking energy: -361.116
Base-Backbone interact. energy: -0.360
local terms energy: -409.759881
where:
bonds (distance) C4'-P energy: -75.365
bonds (distance) P-C4' energy: -66.485
flat angles C4'-P-C4' energy: -96.082
flat angles P-C4'-P energy: -62.459
tors. eta vs tors. theta energy: -109.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1131.470540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.470540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.470540 (E_RNA)
where:
Base-Base interactions energy: -769.821
where: short stacking energy: -346.431
Base-Backbone interact. energy: -2.769
local terms energy: -358.880100
where:
bonds (distance) C4'-P energy: -66.144
bonds (distance) P-C4' energy: -59.263
flat angles C4'-P-C4' energy: -77.276
flat angles P-C4'-P energy: -53.633
tors. eta vs tors. theta energy: -102.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -969.574350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.574350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.574350 (E_RNA)
where:
Base-Base interactions energy: -625.610
where: short stacking energy: -268.388
Base-Backbone interact. energy: 0.073
local terms energy: -344.037754
where:
bonds (distance) C4'-P energy: -63.949
bonds (distance) P-C4' energy: -77.574
flat angles C4'-P-C4' energy: -82.098
flat angles P-C4'-P energy: -50.669
tors. eta vs tors. theta energy: -69.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -902.919946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.919946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.919946 (E_RNA)
where:
Base-Base interactions energy: -591.239
where: short stacking energy: -257.066
Base-Backbone interact. energy: -0.040
local terms energy: -311.640318
where:
bonds (distance) C4'-P energy: -60.706
bonds (distance) P-C4' energy: -74.601
flat angles C4'-P-C4' energy: -66.959
flat angles P-C4'-P energy: -50.873
tors. eta vs tors. theta energy: -58.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -661.166621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.166621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.166621 (E_RNA)
where:
Base-Base interactions energy: -376.988
where: short stacking energy: -179.772
Base-Backbone interact. energy: -1.343
local terms energy: -282.835141
where:
bonds (distance) C4'-P energy: -75.669
bonds (distance) P-C4' energy: -63.541
flat angles C4'-P-C4' energy: -64.335
flat angles P-C4'-P energy: -43.813
tors. eta vs tors. theta energy: -35.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -515.692545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.692545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.692545 (E_RNA)
where:
Base-Base interactions energy: -247.948
where: short stacking energy: -113.087
Base-Backbone interact. energy: -1.750
local terms energy: -265.994529
where:
bonds (distance) C4'-P energy: -75.493
bonds (distance) P-C4' energy: -69.389
flat angles C4'-P-C4' energy: -60.985
flat angles P-C4'-P energy: -57.676
tors. eta vs tors. theta energy: -2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -386.304808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.304808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.304808 (E_RNA)
where:
Base-Base interactions energy: -171.524
where: short stacking energy: -104.236
Base-Backbone interact. energy: 1.669
local terms energy: -216.450145
where:
bonds (distance) C4'-P energy: -68.137
bonds (distance) P-C4' energy: -64.371
flat angles C4'-P-C4' energy: -61.086
flat angles P-C4'-P energy: -29.315
tors. eta vs tors. theta energy: 6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -363.161284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.161284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.161284 (E_RNA)
where:
Base-Base interactions energy: -158.266
where: short stacking energy: -102.513
Base-Backbone interact. energy: -1.948
local terms energy: -202.947466
where:
bonds (distance) C4'-P energy: -47.611
bonds (distance) P-C4' energy: -65.942
flat angles C4'-P-C4' energy: -42.492
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1334.427448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.427448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.427448 (E_RNA)
where:
Base-Base interactions energy: -906.419
where: short stacking energy: -402.097
Base-Backbone interact. energy: 1.285
local terms energy: -429.293649
where:
bonds (distance) C4'-P energy: -82.338
bonds (distance) P-C4' energy: -80.862
flat angles C4'-P-C4' energy: -85.725
flat angles P-C4'-P energy: -60.351
tors. eta vs tors. theta energy: -120.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1282.037972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.037972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.037972 (E_RNA)
where:
Base-Base interactions energy: -887.472
where: short stacking energy: -378.326
Base-Backbone interact. energy: -2.503
local terms energy: -392.062916
where:
bonds (distance) C4'-P energy: -66.491
bonds (distance) P-C4' energy: -67.254
flat angles C4'-P-C4' energy: -83.970
flat angles P-C4'-P energy: -56.328
tors. eta vs tors. theta energy: -118.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1217.972801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.972801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.972801 (E_RNA)
where:
Base-Base interactions energy: -830.361
where: short stacking energy: -344.364
Base-Backbone interact. energy: -2.936
local terms energy: -384.675357
where:
bonds (distance) C4'-P energy: -72.621
bonds (distance) P-C4' energy: -70.358
flat angles C4'-P-C4' energy: -74.089
flat angles P-C4'-P energy: -61.271
tors. eta vs tors. theta energy: -106.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1090.994339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.994339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.994339 (E_RNA)
where:
Base-Base interactions energy: -737.974
where: short stacking energy: -316.012
Base-Backbone interact. energy: 1.821
local terms energy: -354.841439
where:
bonds (distance) C4'-P energy: -77.302
bonds (distance) P-C4' energy: -63.695
flat angles C4'-P-C4' energy: -76.713
flat angles P-C4'-P energy: -53.353
tors. eta vs tors. theta energy: -83.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -948.850544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.850544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.850544 (E_RNA)
where:
Base-Base interactions energy: -587.676
where: short stacking energy: -268.000
Base-Backbone interact. energy: -2.274
local terms energy: -358.900721
where:
bonds (distance) C4'-P energy: -79.973
bonds (distance) P-C4' energy: -71.621
flat angles C4'-P-C4' energy: -82.661
flat angles P-C4'-P energy: -58.130
tors. eta vs tors. theta energy: -66.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -862.091157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.091157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.091157 (E_RNA)
where:
Base-Base interactions energy: -539.338
where: short stacking energy: -253.988
Base-Backbone interact. energy: -1.233
local terms energy: -321.519727
where:
bonds (distance) C4'-P energy: -73.636
bonds (distance) P-C4' energy: -59.040
flat angles C4'-P-C4' energy: -83.535
flat angles P-C4'-P energy: -48.604
tors. eta vs tors. theta energy: -56.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -702.148929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.148929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.148929 (E_RNA)
where:
Base-Base interactions energy: -428.147
where: short stacking energy: -230.441
Base-Backbone interact. energy: -1.480
local terms energy: -272.521680
where:
bonds (distance) C4'-P energy: -53.795
bonds (distance) P-C4' energy: -77.338
flat angles C4'-P-C4' energy: -57.334
flat angles P-C4'-P energy: -42.406
tors. eta vs tors. theta energy: -41.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -584.072369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.072369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.072369 (E_RNA)
where:
Base-Base interactions energy: -340.512
where: short stacking energy: -162.815
Base-Backbone interact. energy: 0.366
local terms energy: -243.925829
where:
bonds (distance) C4'-P energy: -59.645
bonds (distance) P-C4' energy: -63.198
flat angles C4'-P-C4' energy: -53.269
flat angles P-C4'-P energy: -41.667
tors. eta vs tors. theta energy: -26.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -435.571720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.571720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.571720 (E_RNA)
where:
Base-Base interactions energy: -192.394
where: short stacking energy: -112.718
Base-Backbone interact. energy: -0.843
local terms energy: -242.334985
where:
bonds (distance) C4'-P energy: -59.624
bonds (distance) P-C4' energy: -64.989
flat angles C4'-P-C4' energy: -62.169
flat angles P-C4'-P energy: -35.272
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -329.262721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.262721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.262721 (E_RNA)
where:
Base-Base interactions energy: -134.663
where: short stacking energy: -103.124
Base-Backbone interact. energy: -1.204
local terms energy: -193.396306
where:
bonds (distance) C4'-P energy: -58.286
bonds (distance) P-C4' energy: -76.780
flat angles C4'-P-C4' energy: -41.290
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1329.164133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.164133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.164133 (E_RNA)
where:
Base-Base interactions energy: -910.786
where: short stacking energy: -387.143
Base-Backbone interact. energy: -3.312
local terms energy: -415.066127
where:
bonds (distance) C4'-P energy: -72.015
bonds (distance) P-C4' energy: -81.422
flat angles C4'-P-C4' energy: -88.974
flat angles P-C4'-P energy: -58.735
tors. eta vs tors. theta energy: -113.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1313.706634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.706634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.706634 (E_RNA)
where:
Base-Base interactions energy: -889.031
where: short stacking energy: -379.878
Base-Backbone interact. energy: -1.818
local terms energy: -422.857170
where:
bonds (distance) C4'-P energy: -82.551
bonds (distance) P-C4' energy: -81.370
flat angles C4'-P-C4' energy: -91.635
flat angles P-C4'-P energy: -50.180
tors. eta vs tors. theta energy: -117.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1236.514619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.514619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.514619 (E_RNA)
where:
Base-Base interactions energy: -822.417
where: short stacking energy: -341.524
Base-Backbone interact. energy: -2.527
local terms energy: -411.571014
where:
bonds (distance) C4'-P energy: -84.002
bonds (distance) P-C4' energy: -76.494
flat angles C4'-P-C4' energy: -86.923
flat angles P-C4'-P energy: -57.151
tors. eta vs tors. theta energy: -107.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1126.550108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.550108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.550108 (E_RNA)
where:
Base-Base interactions energy: -753.296
where: short stacking energy: -315.370
Base-Backbone interact. energy: 2.065
local terms energy: -375.318671
where:
bonds (distance) C4'-P energy: -71.182
bonds (distance) P-C4' energy: -81.633
flat angles C4'-P-C4' energy: -84.970
flat angles P-C4'-P energy: -49.195
tors. eta vs tors. theta energy: -88.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -982.617740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.617740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.617740 (E_RNA)
where:
Base-Base interactions energy: -624.914
where: short stacking energy: -271.917
Base-Backbone interact. energy: -1.498
local terms energy: -356.205886
where:
bonds (distance) C4'-P energy: -80.013
bonds (distance) P-C4' energy: -73.948
flat angles C4'-P-C4' energy: -72.659
flat angles P-C4'-P energy: -50.300
tors. eta vs tors. theta energy: -79.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -877.781017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.781017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.781017 (E_RNA)
where:
Base-Base interactions energy: -591.498
where: short stacking energy: -250.845
Base-Backbone interact. energy: -0.181
local terms energy: -286.101841
where:
bonds (distance) C4'-P energy: -64.042
bonds (distance) P-C4' energy: -62.683
flat angles C4'-P-C4' energy: -52.978
flat angles P-C4'-P energy: -41.861
tors. eta vs tors. theta energy: -64.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -737.554138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.554138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.554138 (E_RNA)
where:
Base-Base interactions energy: -452.285
where: short stacking energy: -219.520
Base-Backbone interact. energy: -0.465
local terms energy: -284.803664
where:
bonds (distance) C4'-P energy: -64.339
bonds (distance) P-C4' energy: -64.879
flat angles C4'-P-C4' energy: -75.055
flat angles P-C4'-P energy: -38.312
tors. eta vs tors. theta energy: -42.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -532.293441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.293441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.293441 (E_RNA)
where:
Base-Base interactions energy: -298.881
where: short stacking energy: -146.054
Base-Backbone interact. energy: 1.668
local terms energy: -235.079684
where:
bonds (distance) C4'-P energy: -62.412
bonds (distance) P-C4' energy: -68.179
flat angles C4'-P-C4' energy: -55.226
flat angles P-C4'-P energy: -40.235
tors. eta vs tors. theta energy: -9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -441.825392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.825392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.825392 (E_RNA)
where:
Base-Base interactions energy: -210.968
where: short stacking energy: -117.105
Base-Backbone interact. energy: -3.054
local terms energy: -227.802812
where:
bonds (distance) C4'-P energy: -72.181
bonds (distance) P-C4' energy: -49.608
flat angles C4'-P-C4' energy: -59.214
flat angles P-C4'-P energy: -43.809
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -285.951523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.951523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.951523 (E_RNA)
where:
Base-Base interactions energy: -87.291
where: short stacking energy: -83.116
Base-Backbone interact. energy: -0.914
local terms energy: -197.746096
where:
bonds (distance) C4'-P energy: -58.560
bonds (distance) P-C4' energy: -67.062
flat angles C4'-P-C4' energy: -50.224
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: 11.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1322.195268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.195268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.195268 (E_RNA)
where:
Base-Base interactions energy: -914.856
where: short stacking energy: -390.802
Base-Backbone interact. energy: -2.784
local terms energy: -404.555402
where:
bonds (distance) C4'-P energy: -82.197
bonds (distance) P-C4' energy: -69.424
flat angles C4'-P-C4' energy: -84.358
flat angles P-C4'-P energy: -53.643
tors. eta vs tors. theta energy: -114.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1285.850642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.850642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.850642 (E_RNA)
where:
Base-Base interactions energy: -884.012
where: short stacking energy: -376.420
Base-Backbone interact. energy: -0.285
local terms energy: -401.554252
where:
bonds (distance) C4'-P energy: -67.446
bonds (distance) P-C4' energy: -82.204
flat angles C4'-P-C4' energy: -93.552
flat angles P-C4'-P energy: -40.533
tors. eta vs tors. theta energy: -117.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1239.112415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.112415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.112415 (E_RNA)
where:
Base-Base interactions energy: -840.124
where: short stacking energy: -362.753
Base-Backbone interact. energy: -2.536
local terms energy: -396.452499
where:
bonds (distance) C4'-P energy: -78.161
bonds (distance) P-C4' energy: -75.875
flat angles C4'-P-C4' energy: -84.781
flat angles P-C4'-P energy: -49.056
tors. eta vs tors. theta energy: -108.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1077.128204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.128204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.128204 (E_RNA)
where:
Base-Base interactions energy: -744.784
where: short stacking energy: -326.328
Base-Backbone interact. energy: -0.023
local terms energy: -332.320748
where:
bonds (distance) C4'-P energy: -59.092
bonds (distance) P-C4' energy: -68.334
flat angles C4'-P-C4' energy: -74.014
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: -85.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1005.815858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.815858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.815858 (E_RNA)
where:
Base-Base interactions energy: -656.548
where: short stacking energy: -290.114
Base-Backbone interact. energy: -2.337
local terms energy: -346.929978
where:
bonds (distance) C4'-P energy: -72.206
bonds (distance) P-C4' energy: -73.518
flat angles C4'-P-C4' energy: -71.744
flat angles P-C4'-P energy: -57.794
tors. eta vs tors. theta energy: -71.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -923.047674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.047674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.047674 (E_RNA)
where:
Base-Base interactions energy: -611.976
where: short stacking energy: -271.445
Base-Backbone interact. energy: 0.505
local terms energy: -311.576585
where:
bonds (distance) C4'-P energy: -70.458
bonds (distance) P-C4' energy: -45.027
flat angles C4'-P-C4' energy: -80.023
flat angles P-C4'-P energy: -47.435
tors. eta vs tors. theta energy: -68.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -712.428954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.428954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.428954 (E_RNA)
where:
Base-Base interactions energy: -410.747
where: short stacking energy: -212.595
Base-Backbone interact. energy: 0.847
local terms energy: -302.528814
where:
bonds (distance) C4'-P energy: -65.634
bonds (distance) P-C4' energy: -72.805
flat angles C4'-P-C4' energy: -65.968
flat angles P-C4'-P energy: -54.240
tors. eta vs tors. theta energy: -43.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -398.330759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.330759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.330759 (E_RNA)
where:
Base-Base interactions energy: -169.833
where: short stacking energy: -139.812
Base-Backbone interact. energy: 0.737
local terms energy: -229.234670
where:
bonds (distance) C4'-P energy: -57.670
bonds (distance) P-C4' energy: -75.458
flat angles C4'-P-C4' energy: -52.594
flat angles P-C4'-P energy: -31.630
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -381.953485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.953485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.953485 (E_RNA)
where:
Base-Base interactions energy: -170.964
where: short stacking energy: -96.980
Base-Backbone interact. energy: 0.187
local terms energy: -211.177124
where:
bonds (distance) C4'-P energy: -67.389
bonds (distance) P-C4' energy: -66.415
flat angles C4'-P-C4' energy: -52.590
flat angles P-C4'-P energy: -38.217
tors. eta vs tors. theta energy: 13.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -311.675534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.675534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.675534 (E_RNA)
where:
Base-Base interactions energy: -98.614
where: short stacking energy: -91.353
Base-Backbone interact. energy: 5.510
local terms energy: -218.570971
where:
bonds (distance) C4'-P energy: -60.378
bonds (distance) P-C4' energy: -66.620
flat angles C4'-P-C4' energy: -56.622
flat angles P-C4'-P energy: -35.154
tors. eta vs tors. theta energy: 0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1312.174047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.174047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.174047 (E_RNA)
where:
Base-Base interactions energy: -896.791
where: short stacking energy: -357.199
Base-Backbone interact. energy: -1.332
local terms energy: -414.051269
where:
bonds (distance) C4'-P energy: -81.301
bonds (distance) P-C4' energy: -74.884
flat angles C4'-P-C4' energy: -83.373
flat angles P-C4'-P energy: -60.780
tors. eta vs tors. theta energy: -113.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1310.580902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.580902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.580902 (E_RNA)
where:
Base-Base interactions energy: -891.131
where: short stacking energy: -375.865
Base-Backbone interact. energy: -2.461
local terms energy: -416.988335
where:
bonds (distance) C4'-P energy: -74.120
bonds (distance) P-C4' energy: -71.021
flat angles C4'-P-C4' energy: -91.471
flat angles P-C4'-P energy: -64.493
tors. eta vs tors. theta energy: -115.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1213.407439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.407439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.407439 (E_RNA)
where:
Base-Base interactions energy: -809.169
where: short stacking energy: -359.668
Base-Backbone interact. energy: -1.879
local terms energy: -402.359335
where:
bonds (distance) C4'-P energy: -85.279
bonds (distance) P-C4' energy: -78.041
flat angles C4'-P-C4' energy: -77.789
flat angles P-C4'-P energy: -56.443
tors. eta vs tors. theta energy: -104.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1112.297798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.297798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.297798 (E_RNA)
where:
Base-Base interactions energy: -733.009
where: short stacking energy: -316.733
Base-Backbone interact. energy: -1.976
local terms energy: -377.312768
where:
bonds (distance) C4'-P energy: -76.258
bonds (distance) P-C4' energy: -79.020
flat angles C4'-P-C4' energy: -83.360
flat angles P-C4'-P energy: -43.781
tors. eta vs tors. theta energy: -94.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1043.863379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.863379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.863379 (E_RNA)
where:
Base-Base interactions energy: -698.584
where: short stacking energy: -316.243
Base-Backbone interact. energy: -2.445
local terms energy: -342.834554
where:
bonds (distance) C4'-P energy: -68.273
bonds (distance) P-C4' energy: -72.968
flat angles C4'-P-C4' energy: -74.942
flat angles P-C4'-P energy: -43.646
tors. eta vs tors. theta energy: -83.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -906.193873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.193873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.193873 (E_RNA)
where:
Base-Base interactions energy: -586.248
where: short stacking energy: -246.800
Base-Backbone interact. energy: 0.615
local terms energy: -320.560446
where:
bonds (distance) C4'-P energy: -80.206
bonds (distance) P-C4' energy: -66.945
flat angles C4'-P-C4' energy: -73.744
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -55.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -714.445999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.445999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.445999 (E_RNA)
where:
Base-Base interactions energy: -427.207
where: short stacking energy: -222.294
Base-Backbone interact. energy: -0.347
local terms energy: -286.891496
where:
bonds (distance) C4'-P energy: -59.139
bonds (distance) P-C4' energy: -66.268
flat angles C4'-P-C4' energy: -71.774
flat angles P-C4'-P energy: -50.012
tors. eta vs tors. theta energy: -39.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -441.176967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.176967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.176967 (E_RNA)
where:
Base-Base interactions energy: -183.065
where: short stacking energy: -121.222
Base-Backbone interact. energy: -1.475
local terms energy: -256.637449
where:
bonds (distance) C4'-P energy: -72.190
bonds (distance) P-C4' energy: -65.283
flat angles C4'-P-C4' energy: -60.346
flat angles P-C4'-P energy: -36.878
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -353.460391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.460391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.460391 (E_RNA)
where:
Base-Base interactions energy: -117.396
where: short stacking energy: -84.734
Base-Backbone interact. energy: -2.904
local terms energy: -233.161197
where:
bonds (distance) C4'-P energy: -68.635
bonds (distance) P-C4' energy: -69.228
flat angles C4'-P-C4' energy: -66.893
flat angles P-C4'-P energy: -43.989
tors. eta vs tors. theta energy: 15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -339.906377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.906377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.906377 (E_RNA)
where:
Base-Base interactions energy: -134.895
where: short stacking energy: -82.052
Base-Backbone interact. energy: -0.643
local terms energy: -204.369005
where:
bonds (distance) C4'-P energy: -74.906
bonds (distance) P-C4' energy: -68.837
flat angles C4'-P-C4' energy: -48.314
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: 15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1314.731744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.731744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.731744 (E_RNA)
where:
Base-Base interactions energy: -898.853
where: short stacking energy: -371.783
Base-Backbone interact. energy: 1.198
local terms energy: -417.076644
where:
bonds (distance) C4'-P energy: -74.849
bonds (distance) P-C4' energy: -84.244
flat angles C4'-P-C4' energy: -91.867
flat angles P-C4'-P energy: -55.203
tors. eta vs tors. theta energy: -110.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1312.614968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.614968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.614968 (E_RNA)
where:
Base-Base interactions energy: -900.722
where: short stacking energy: -389.450
Base-Backbone interact. energy: 1.197
local terms energy: -413.090647
where:
bonds (distance) C4'-P energy: -70.847
bonds (distance) P-C4' energy: -76.988
flat angles C4'-P-C4' energy: -89.683
flat angles P-C4'-P energy: -60.068
tors. eta vs tors. theta energy: -115.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1200.425527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.425527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.425527 (E_RNA)
where:
Base-Base interactions energy: -784.383
where: short stacking energy: -356.066
Base-Backbone interact. energy: 0.178
local terms energy: -416.220511
where:
bonds (distance) C4'-P energy: -67.853
bonds (distance) P-C4' energy: -83.353
flat angles C4'-P-C4' energy: -94.729
flat angles P-C4'-P energy: -57.037
tors. eta vs tors. theta energy: -113.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1095.324315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.324315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.324315 (E_RNA)
where:
Base-Base interactions energy: -741.372
where: short stacking energy: -312.247
Base-Backbone interact. energy: -1.070
local terms energy: -352.882741
where:
bonds (distance) C4'-P energy: -67.965
bonds (distance) P-C4' energy: -72.944
flat angles C4'-P-C4' energy: -77.160
flat angles P-C4'-P energy: -49.244
tors. eta vs tors. theta energy: -85.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1008.026538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.026538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.026538 (E_RNA)
where:
Base-Base interactions energy: -658.601
where: short stacking energy: -281.265
Base-Backbone interact. energy: -2.583
local terms energy: -346.842420
where:
bonds (distance) C4'-P energy: -54.582
bonds (distance) P-C4' energy: -68.452
flat angles C4'-P-C4' energy: -83.267
flat angles P-C4'-P energy: -60.579
tors. eta vs tors. theta energy: -79.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -927.865227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.865227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.865227 (E_RNA)
where:
Base-Base interactions energy: -600.875
where: short stacking energy: -266.524
Base-Backbone interact. energy: -0.846
local terms energy: -326.143831
where:
bonds (distance) C4'-P energy: -64.767
bonds (distance) P-C4' energy: -79.921
flat angles C4'-P-C4' energy: -75.459
flat angles P-C4'-P energy: -42.468
tors. eta vs tors. theta energy: -63.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -717.527869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.527869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.527869 (E_RNA)
where:
Base-Base interactions energy: -403.703
where: short stacking energy: -195.438
Base-Backbone interact. energy: -1.088
local terms energy: -312.736147
where:
bonds (distance) C4'-P energy: -76.164
bonds (distance) P-C4' energy: -83.219
flat angles C4'-P-C4' energy: -77.533
flat angles P-C4'-P energy: -46.652
tors. eta vs tors. theta energy: -29.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -466.302290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.302290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.302290 (E_RNA)
where:
Base-Base interactions energy: -220.684
where: short stacking energy: -118.118
Base-Backbone interact. energy: -3.360
local terms energy: -242.258449
where:
bonds (distance) C4'-P energy: -66.449
bonds (distance) P-C4' energy: -67.833
flat angles C4'-P-C4' energy: -68.968
flat angles P-C4'-P energy: -27.743
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -352.173462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.173462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.173462 (E_RNA)
where:
Base-Base interactions energy: -131.722
where: short stacking energy: -91.295
Base-Backbone interact. energy: 1.180
local terms energy: -221.631569
where:
bonds (distance) C4'-P energy: -61.919
bonds (distance) P-C4' energy: -67.545
flat angles C4'-P-C4' energy: -59.999
flat angles P-C4'-P energy: -39.065
tors. eta vs tors. theta energy: 6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -336.315689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.315689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.315689 (E_RNA)
where:
Base-Base interactions energy: -140.871
where: short stacking energy: -110.947
Base-Backbone interact. energy: -0.398
local terms energy: -195.045873
where:
bonds (distance) C4'-P energy: -70.084
bonds (distance) P-C4' energy: -73.127
flat angles C4'-P-C4' energy: -47.031
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: 16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1302.282358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.282358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.282358 (E_RNA)
where:
Base-Base interactions energy: -880.497
where: short stacking energy: -360.520
Base-Backbone interact. energy: 0.061
local terms energy: -421.846418
where:
bonds (distance) C4'-P energy: -80.223
bonds (distance) P-C4' energy: -85.064
flat angles C4'-P-C4' energy: -90.514
flat angles P-C4'-P energy: -57.252
tors. eta vs tors. theta energy: -108.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1277.394779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.394779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.394779 (E_RNA)
where:
Base-Base interactions energy: -875.389
where: short stacking energy: -367.559
Base-Backbone interact. energy: -3.572
local terms energy: -398.433761
where:
bonds (distance) C4'-P energy: -73.347
bonds (distance) P-C4' energy: -79.456
flat angles C4'-P-C4' energy: -78.567
flat angles P-C4'-P energy: -58.302
tors. eta vs tors. theta energy: -108.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1166.984366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.984366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.984366 (E_RNA)
where:
Base-Base interactions energy: -779.157
where: short stacking energy: -347.017
Base-Backbone interact. energy: -2.921
local terms energy: -384.906256
where:
bonds (distance) C4'-P energy: -71.096
bonds (distance) P-C4' energy: -74.245
flat angles C4'-P-C4' energy: -82.212
flat angles P-C4'-P energy: -55.427
tors. eta vs tors. theta energy: -101.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1102.185580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.185580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.185580 (E_RNA)
where:
Base-Base interactions energy: -743.516
where: short stacking energy: -303.160
Base-Backbone interact. energy: -4.838
local terms energy: -353.830964
where:
bonds (distance) C4'-P energy: -68.537
bonds (distance) P-C4' energy: -75.025
flat angles C4'-P-C4' energy: -81.463
flat angles P-C4'-P energy: -53.811
tors. eta vs tors. theta energy: -74.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1009.142751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.142751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.142751 (E_RNA)
where:
Base-Base interactions energy: -651.129
where: short stacking energy: -288.899
Base-Backbone interact. energy: 1.106
local terms energy: -359.119741
where:
bonds (distance) C4'-P energy: -72.110
bonds (distance) P-C4' energy: -69.189
flat angles C4'-P-C4' energy: -73.694
flat angles P-C4'-P energy: -50.690
tors. eta vs tors. theta energy: -93.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -944.627981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.627981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.627981 (E_RNA)
where:
Base-Base interactions energy: -610.828
where: short stacking energy: -282.259
Base-Backbone interact. energy: 0.683
local terms energy: -334.482727
where:
bonds (distance) C4'-P energy: -58.330
bonds (distance) P-C4' energy: -70.323
flat angles C4'-P-C4' energy: -74.004
flat angles P-C4'-P energy: -50.097
tors. eta vs tors. theta energy: -81.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -705.486915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.486915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.486915 (E_RNA)
where:
Base-Base interactions energy: -452.442
where: short stacking energy: -192.123
Base-Backbone interact. energy: -0.920
local terms energy: -252.124946
where:
bonds (distance) C4'-P energy: -52.642
bonds (distance) P-C4' energy: -68.314
flat angles C4'-P-C4' energy: -59.403
flat angles P-C4'-P energy: -36.252
tors. eta vs tors. theta energy: -35.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -425.213465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.213465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.213465 (E_RNA)
where:
Base-Base interactions energy: -189.809
where: short stacking energy: -105.244
Base-Backbone interact. energy: 2.068
local terms energy: -237.472456
where:
bonds (distance) C4'-P energy: -66.064
bonds (distance) P-C4' energy: -83.532
flat angles C4'-P-C4' energy: -50.524
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: 3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -391.242588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.242588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.242588 (E_RNA)
where:
Base-Base interactions energy: -151.261
where: short stacking energy: -114.008
Base-Backbone interact. energy: -0.173
local terms energy: -239.809180
where:
bonds (distance) C4'-P energy: -69.494
bonds (distance) P-C4' energy: -65.752
flat angles C4'-P-C4' energy: -58.839
flat angles P-C4'-P energy: -45.292
tors. eta vs tors. theta energy: -0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -307.471525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.471525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.471525 (E_RNA)
where:
Base-Base interactions energy: -105.922
where: short stacking energy: -87.574
Base-Backbone interact. energy: 1.385
local terms energy: -202.934438
where:
bonds (distance) C4'-P energy: -53.089
bonds (distance) P-C4' energy: -65.608
flat angles C4'-P-C4' energy: -56.992
flat angles P-C4'-P energy: -32.704
tors. eta vs tors. theta energy: 5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1320.721858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.721858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.721858 (E_RNA)
where:
Base-Base interactions energy: -895.650
where: short stacking energy: -391.264
Base-Backbone interact. energy: -2.745
local terms energy: -422.326401
where:
bonds (distance) C4'-P energy: -86.575
bonds (distance) P-C4' energy: -80.432
flat angles C4'-P-C4' energy: -90.057
flat angles P-C4'-P energy: -49.644
tors. eta vs tors. theta energy: -115.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1302.825453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.825453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.825453 (E_RNA)
where:
Base-Base interactions energy: -895.946
where: short stacking energy: -388.165
Base-Backbone interact. energy: -1.079
local terms energy: -405.800819
where:
bonds (distance) C4'-P energy: -73.745
bonds (distance) P-C4' energy: -81.330
flat angles C4'-P-C4' energy: -83.372
flat angles P-C4'-P energy: -53.230
tors. eta vs tors. theta energy: -114.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1179.386448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.386448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.386448 (E_RNA)
where:
Base-Base interactions energy: -797.631
where: short stacking energy: -359.219
Base-Backbone interact. energy: -1.425
local terms energy: -380.331359
where:
bonds (distance) C4'-P energy: -69.134
bonds (distance) P-C4' energy: -69.486
flat angles C4'-P-C4' energy: -80.641
flat angles P-C4'-P energy: -52.565
tors. eta vs tors. theta energy: -108.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1101.815475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.815475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.815475 (E_RNA)
where:
Base-Base interactions energy: -729.048
where: short stacking energy: -301.255
Base-Backbone interact. energy: 1.685
local terms energy: -374.452592
where:
bonds (distance) C4'-P energy: -80.182
bonds (distance) P-C4' energy: -75.786
flat angles C4'-P-C4' energy: -73.988
flat angles P-C4'-P energy: -56.545
tors. eta vs tors. theta energy: -87.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1034.470840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.470840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.470840 (E_RNA)
where:
Base-Base interactions energy: -675.675
where: short stacking energy: -309.527
Base-Backbone interact. energy: -0.179
local terms energy: -358.616466
where:
bonds (distance) C4'-P energy: -68.422
bonds (distance) P-C4' energy: -79.688
flat angles C4'-P-C4' energy: -74.120
flat angles P-C4'-P energy: -57.564
tors. eta vs tors. theta energy: -78.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -888.774728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.774728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.774728 (E_RNA)
where:
Base-Base interactions energy: -582.980
where: short stacking energy: -255.646
Base-Backbone interact. energy: 1.894
local terms energy: -307.688892
where:
bonds (distance) C4'-P energy: -62.426
bonds (distance) P-C4' energy: -64.317
flat angles C4'-P-C4' energy: -78.682
flat angles P-C4'-P energy: -41.342
tors. eta vs tors. theta energy: -60.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -688.323286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.323286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.323286 (E_RNA)
where:
Base-Base interactions energy: -393.081
where: short stacking energy: -192.946
Base-Backbone interact. energy: -0.921
local terms energy: -294.320806
where:
bonds (distance) C4'-P energy: -67.937
bonds (distance) P-C4' energy: -75.330
flat angles C4'-P-C4' energy: -76.924
flat angles P-C4'-P energy: -46.659
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -467.176103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.176103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.176103 (E_RNA)
where:
Base-Base interactions energy: -222.686
where: short stacking energy: -114.825
Base-Backbone interact. energy: -2.413
local terms energy: -242.077031
where:
bonds (distance) C4'-P energy: -62.975
bonds (distance) P-C4' energy: -72.175
flat angles C4'-P-C4' energy: -64.048
flat angles P-C4'-P energy: -43.691
tors. eta vs tors. theta energy: 0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -336.966636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.966636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.966636 (E_RNA)
where:
Base-Base interactions energy: -116.676
where: short stacking energy: -109.560
Base-Backbone interact. energy: -1.627
local terms energy: -218.663367
where:
bonds (distance) C4'-P energy: -62.105
bonds (distance) P-C4' energy: -63.627
flat angles C4'-P-C4' energy: -54.641
flat angles P-C4'-P energy: -37.229
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -314.305964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.305964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.305964 (E_RNA)
where:
Base-Base interactions energy: -122.916
where: short stacking energy: -94.253
Base-Backbone interact. energy: 5.699
local terms energy: -197.089495
where:
bonds (distance) C4'-P energy: -62.975
bonds (distance) P-C4' energy: -67.631
flat angles C4'-P-C4' energy: -64.735
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: 14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1314.215568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.215568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.215568 (E_RNA)
where:
Base-Base interactions energy: -891.175
where: short stacking energy: -396.840
Base-Backbone interact. energy: -2.000
local terms energy: -421.039684
where:
bonds (distance) C4'-P energy: -77.021
bonds (distance) P-C4' energy: -70.684
flat angles C4'-P-C4' energy: -94.271
flat angles P-C4'-P energy: -60.479
tors. eta vs tors. theta energy: -118.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1277.979498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.979498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.979498 (E_RNA)
where:
Base-Base interactions energy: -867.618
where: short stacking energy: -362.977
Base-Backbone interact. energy: -2.439
local terms energy: -407.922418
where:
bonds (distance) C4'-P energy: -67.009
bonds (distance) P-C4' energy: -86.187
flat angles C4'-P-C4' energy: -94.498
flat angles P-C4'-P energy: -53.324
tors. eta vs tors. theta energy: -106.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1214.215287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.215287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.215287 (E_RNA)
where:
Base-Base interactions energy: -811.145
where: short stacking energy: -364.073
Base-Backbone interact. energy: -1.386
local terms energy: -401.684262
where:
bonds (distance) C4'-P energy: -73.455
bonds (distance) P-C4' energy: -83.361
flat angles C4'-P-C4' energy: -85.398
flat angles P-C4'-P energy: -57.000
tors. eta vs tors. theta energy: -102.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1106.647218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.647218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.647218 (E_RNA)
where:
Base-Base interactions energy: -744.807
where: short stacking energy: -321.444
Base-Backbone interact. energy: 3.507
local terms energy: -365.347723
where:
bonds (distance) C4'-P energy: -70.485
bonds (distance) P-C4' energy: -62.560
flat angles C4'-P-C4' energy: -77.677
flat angles P-C4'-P energy: -55.937
tors. eta vs tors. theta energy: -98.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1051.592653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.592653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.592653 (E_RNA)
where:
Base-Base interactions energy: -678.030
where: short stacking energy: -299.851
Base-Backbone interact. energy: 5.007
local terms energy: -378.569638
where:
bonds (distance) C4'-P energy: -80.953
bonds (distance) P-C4' energy: -72.561
flat angles C4'-P-C4' energy: -85.179
flat angles P-C4'-P energy: -58.304
tors. eta vs tors. theta energy: -81.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -880.411652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.411652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.411652 (E_RNA)
where:
Base-Base interactions energy: -539.965
where: short stacking energy: -245.667
Base-Backbone interact. energy: 0.961
local terms energy: -341.407406
where:
bonds (distance) C4'-P energy: -77.194
bonds (distance) P-C4' energy: -80.102
flat angles C4'-P-C4' energy: -73.836
flat angles P-C4'-P energy: -55.637
tors. eta vs tors. theta energy: -54.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -743.933869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.933869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.933869 (E_RNA)
where:
Base-Base interactions energy: -453.582
where: short stacking energy: -227.356
Base-Backbone interact. energy: -0.358
local terms energy: -289.993923
where:
bonds (distance) C4'-P energy: -62.446
bonds (distance) P-C4' energy: -52.595
flat angles C4'-P-C4' energy: -80.469
flat angles P-C4'-P energy: -52.033
tors. eta vs tors. theta energy: -42.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -488.359637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.359637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.359637 (E_RNA)
where:
Base-Base interactions energy: -229.269
where: short stacking energy: -134.317
Base-Backbone interact. energy: 2.250
local terms energy: -261.340486
where:
bonds (distance) C4'-P energy: -70.530
bonds (distance) P-C4' energy: -63.836
flat angles C4'-P-C4' energy: -66.398
flat angles P-C4'-P energy: -48.124
tors. eta vs tors. theta energy: -12.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -323.941067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.941067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.941067 (E_RNA)
where:
Base-Base interactions energy: -97.613
where: short stacking energy: -89.209
Base-Backbone interact. energy: -0.635
local terms energy: -225.692799
where:
bonds (distance) C4'-P energy: -68.935
bonds (distance) P-C4' energy: -69.855
flat angles C4'-P-C4' energy: -69.096
flat angles P-C4'-P energy: -33.871
tors. eta vs tors. theta energy: 16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -318.229013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.229013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.229013 (E_RNA)
where:
Base-Base interactions energy: -110.740
where: short stacking energy: -97.767
Base-Backbone interact. energy: 3.699
local terms energy: -211.187150
where:
bonds (distance) C4'-P energy: -67.222
bonds (distance) P-C4' energy: -64.183
flat angles C4'-P-C4' energy: -38.304
flat angles P-C4'-P energy: -49.349
tors. eta vs tors. theta energy: 7.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1318.580008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.580008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.580008 (E_RNA)
where:
Base-Base interactions energy: -883.129
where: short stacking energy: -383.352
Base-Backbone interact. energy: -0.762
local terms energy: -434.688975
where:
bonds (distance) C4'-P energy: -74.649
bonds (distance) P-C4' energy: -86.501
flat angles C4'-P-C4' energy: -97.072
flat angles P-C4'-P energy: -57.675
tors. eta vs tors. theta energy: -118.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1289.268031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.268031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.268031 (E_RNA)
where:
Base-Base interactions energy: -878.595
where: short stacking energy: -368.476
Base-Backbone interact. energy: -2.826
local terms energy: -407.847409
where:
bonds (distance) C4'-P energy: -82.699
bonds (distance) P-C4' energy: -75.610
flat angles C4'-P-C4' energy: -83.288
flat angles P-C4'-P energy: -57.672
tors. eta vs tors. theta energy: -108.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1230.156881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.156881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.156881 (E_RNA)
where:
Base-Base interactions energy: -835.911
where: short stacking energy: -350.392
Base-Backbone interact. energy: -2.337
local terms energy: -391.908507
where:
bonds (distance) C4'-P energy: -65.605
bonds (distance) P-C4' energy: -73.536
flat angles C4'-P-C4' energy: -87.580
flat angles P-C4'-P energy: -60.541
tors. eta vs tors. theta energy: -104.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1088.533600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.533600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.533600 (E_RNA)
where:
Base-Base interactions energy: -713.623
where: short stacking energy: -331.183
Base-Backbone interact. energy: 1.397
local terms energy: -376.307422
where:
bonds (distance) C4'-P energy: -69.318
bonds (distance) P-C4' energy: -85.534
flat angles C4'-P-C4' energy: -78.591
flat angles P-C4'-P energy: -54.264
tors. eta vs tors. theta energy: -88.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1065.095537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.095537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.095537 (E_RNA)
where:
Base-Base interactions energy: -716.322
where: short stacking energy: -303.318
Base-Backbone interact. energy: 1.283
local terms energy: -350.056665
where:
bonds (distance) C4'-P energy: -62.273
bonds (distance) P-C4' energy: -70.996
flat angles C4'-P-C4' energy: -81.242
flat angles P-C4'-P energy: -42.075
tors. eta vs tors. theta energy: -93.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -885.687273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.687273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.687273 (E_RNA)
where:
Base-Base interactions energy: -564.606
where: short stacking energy: -251.603
Base-Backbone interact. energy: 2.261
local terms energy: -323.342409
where:
bonds (distance) C4'-P energy: -68.006
bonds (distance) P-C4' energy: -69.374
flat angles C4'-P-C4' energy: -78.051
flat angles P-C4'-P energy: -50.097
tors. eta vs tors. theta energy: -57.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -768.005602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.005602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.005602 (E_RNA)
where:
Base-Base interactions energy: -465.150
where: short stacking energy: -204.478
Base-Backbone interact. energy: -0.123
local terms energy: -302.732358
where:
bonds (distance) C4'-P energy: -70.474
bonds (distance) P-C4' energy: -78.019
flat angles C4'-P-C4' energy: -72.647
flat angles P-C4'-P energy: -35.330
tors. eta vs tors. theta energy: -46.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -456.912573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.912573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.912573 (E_RNA)
where:
Base-Base interactions energy: -218.682
where: short stacking energy: -132.740
Base-Backbone interact. energy: 1.543
local terms energy: -239.773754
where:
bonds (distance) C4'-P energy: -73.113
bonds (distance) P-C4' energy: -64.749
flat angles C4'-P-C4' energy: -61.367
flat angles P-C4'-P energy: -35.524
tors. eta vs tors. theta energy: -5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -370.017950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.017950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.017950 (E_RNA)
where:
Base-Base interactions energy: -161.647
where: short stacking energy: -115.180
Base-Backbone interact. energy: 3.809
local terms energy: -212.179853
where:
bonds (distance) C4'-P energy: -58.013
bonds (distance) P-C4' energy: -77.665
flat angles C4'-P-C4' energy: -38.648
flat angles P-C4'-P energy: -30.834
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -324.573513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.573513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.573513 (E_RNA)
where:
Base-Base interactions energy: -113.883
where: short stacking energy: -101.448
Base-Backbone interact. energy: 1.452
local terms energy: -212.141921
where:
bonds (distance) C4'-P energy: -61.817
bonds (distance) P-C4' energy: -52.272
flat angles C4'-P-C4' energy: -56.586
flat angles P-C4'-P energy: -41.884
tors. eta vs tors. theta energy: 0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1320.361956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.361956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.361956 (E_RNA)
where:
Base-Base interactions energy: -901.057
where: short stacking energy: -372.076
Base-Backbone interact. energy: -2.349
local terms energy: -416.956209
where:
bonds (distance) C4'-P energy: -81.242
bonds (distance) P-C4' energy: -78.596
flat angles C4'-P-C4' energy: -86.502
flat angles P-C4'-P energy: -56.730
tors. eta vs tors. theta energy: -113.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1259.019243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.019243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.019243 (E_RNA)
where:
Base-Base interactions energy: -842.696
where: short stacking energy: -368.797
Base-Backbone interact. energy: -1.716
local terms energy: -414.607633
where:
bonds (distance) C4'-P energy: -79.252
bonds (distance) P-C4' energy: -79.201
flat angles C4'-P-C4' energy: -88.558
flat angles P-C4'-P energy: -54.994
tors. eta vs tors. theta energy: -112.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1221.978506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.978506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.978506 (E_RNA)
where:
Base-Base interactions energy: -807.753
where: short stacking energy: -348.074
Base-Backbone interact. energy: 0.354
local terms energy: -414.580329
where:
bonds (distance) C4'-P energy: -84.936
bonds (distance) P-C4' energy: -85.471
flat angles C4'-P-C4' energy: -83.926
flat angles P-C4'-P energy: -57.903
tors. eta vs tors. theta energy: -102.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1097.022040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.022040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.022040 (E_RNA)
where:
Base-Base interactions energy: -732.091
where: short stacking energy: -300.390
Base-Backbone interact. energy: 1.570
local terms energy: -366.500701
where:
bonds (distance) C4'-P energy: -79.163
bonds (distance) P-C4' energy: -68.153
flat angles C4'-P-C4' energy: -82.082
flat angles P-C4'-P energy: -54.048
tors. eta vs tors. theta energy: -83.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1024.698379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.698379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.698379 (E_RNA)
where:
Base-Base interactions energy: -688.083
where: short stacking energy: -280.762
Base-Backbone interact. energy: -2.245
local terms energy: -334.370741
where:
bonds (distance) C4'-P energy: -70.164
bonds (distance) P-C4' energy: -63.193
flat angles C4'-P-C4' energy: -64.820
flat angles P-C4'-P energy: -51.933
tors. eta vs tors. theta energy: -84.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -885.474662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.474662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.474662 (E_RNA)
where:
Base-Base interactions energy: -584.667
where: short stacking energy: -252.269
Base-Backbone interact. energy: 4.986
local terms energy: -305.793249
where:
bonds (distance) C4'-P energy: -67.870
bonds (distance) P-C4' energy: -73.419
flat angles C4'-P-C4' energy: -64.038
flat angles P-C4'-P energy: -38.847
tors. eta vs tors. theta energy: -61.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -753.008504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.008504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.008504 (E_RNA)
where:
Base-Base interactions energy: -457.654
where: short stacking energy: -194.680
Base-Backbone interact. energy: -0.792
local terms energy: -294.562906
where:
bonds (distance) C4'-P energy: -70.560
bonds (distance) P-C4' energy: -68.168
flat angles C4'-P-C4' energy: -71.991
flat angles P-C4'-P energy: -48.217
tors. eta vs tors. theta energy: -35.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -452.204093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.204093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.204093 (E_RNA)
where:
Base-Base interactions energy: -198.178
where: short stacking energy: -119.599
Base-Backbone interact. energy: -0.536
local terms energy: -253.489783
where:
bonds (distance) C4'-P energy: -74.759
bonds (distance) P-C4' energy: -72.988
flat angles C4'-P-C4' energy: -66.680
flat angles P-C4'-P energy: -35.876
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -415.970267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.970267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.970267 (E_RNA)
where:
Base-Base interactions energy: -195.008
where: short stacking energy: -126.858
Base-Backbone interact. energy: 0.898
local terms energy: -221.859813
where:
bonds (distance) C4'-P energy: -66.084
bonds (distance) P-C4' energy: -78.810
flat angles C4'-P-C4' energy: -48.407
flat angles P-C4'-P energy: -30.468
tors. eta vs tors. theta energy: 1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -329.012991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.012991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.012991 (E_RNA)
where:
Base-Base interactions energy: -119.201
where: short stacking energy: -98.908
Base-Backbone interact. energy: 0.284
local terms energy: -210.096668
where:
bonds (distance) C4'-P energy: -58.094
bonds (distance) P-C4' energy: -70.190
flat angles C4'-P-C4' energy: -59.785
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: 9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1370.073356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.073356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.073356 (E_RNA)
where:
Base-Base interactions energy: -926.851
where: short stacking energy: -393.211
Base-Backbone interact. energy: -2.456
local terms energy: -440.766385
where:
bonds (distance) C4'-P energy: -84.664
bonds (distance) P-C4' energy: -78.712
flat angles C4'-P-C4' energy: -92.407
flat angles P-C4'-P energy: -63.744
tors. eta vs tors. theta energy: -121.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1273.390503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.390503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.390503 (E_RNA)
where:
Base-Base interactions energy: -878.510
where: short stacking energy: -373.510
Base-Backbone interact. energy: 0.853
local terms energy: -395.733868
where:
bonds (distance) C4'-P energy: -70.906
bonds (distance) P-C4' energy: -89.109
flat angles C4'-P-C4' energy: -77.486
flat angles P-C4'-P energy: -49.714
tors. eta vs tors. theta energy: -108.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1213.659825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.659825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.659825 (E_RNA)
where:
Base-Base interactions energy: -818.523
where: short stacking energy: -350.673
Base-Backbone interact. energy: -1.627
local terms energy: -393.509004
where:
bonds (distance) C4'-P energy: -74.562
bonds (distance) P-C4' energy: -80.400
flat angles C4'-P-C4' energy: -86.467
flat angles P-C4'-P energy: -55.719
tors. eta vs tors. theta energy: -96.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1133.318651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.318651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.318651 (E_RNA)
where:
Base-Base interactions energy: -748.466
where: short stacking energy: -312.475
Base-Backbone interact. energy: -4.800
local terms energy: -380.051977
where:
bonds (distance) C4'-P energy: -74.476
bonds (distance) P-C4' energy: -69.575
flat angles C4'-P-C4' energy: -79.133
flat angles P-C4'-P energy: -58.925
tors. eta vs tors. theta energy: -97.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1070.534960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.534960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.534960 (E_RNA)
where:
Base-Base interactions energy: -706.026
where: short stacking energy: -296.460
Base-Backbone interact. energy: -5.654
local terms energy: -358.854533
where:
bonds (distance) C4'-P energy: -66.137
bonds (distance) P-C4' energy: -72.450
flat angles C4'-P-C4' energy: -85.117
flat angles P-C4'-P energy: -46.827
tors. eta vs tors. theta energy: -88.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -889.315310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.315310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.315310 (E_RNA)
where:
Base-Base interactions energy: -558.254
where: short stacking energy: -272.232
Base-Backbone interact. energy: -4.723
local terms energy: -326.338573
where:
bonds (distance) C4'-P energy: -68.765
bonds (distance) P-C4' energy: -73.316
flat angles C4'-P-C4' energy: -77.233
flat angles P-C4'-P energy: -40.973
tors. eta vs tors. theta energy: -66.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -700.020087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.020087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.020087 (E_RNA)
where:
Base-Base interactions energy: -415.540
where: short stacking energy: -181.774
Base-Backbone interact. energy: 1.530
local terms energy: -286.010392
where:
bonds (distance) C4'-P energy: -61.584
bonds (distance) P-C4' energy: -70.025
flat angles C4'-P-C4' energy: -64.003
flat angles P-C4'-P energy: -57.066
tors. eta vs tors. theta energy: -33.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -465.680516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.680516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.680516 (E_RNA)
where:
Base-Base interactions energy: -223.359
where: short stacking energy: -130.598
Base-Backbone interact. energy: -3.770
local terms energy: -238.551593
where:
bonds (distance) C4'-P energy: -68.862
bonds (distance) P-C4' energy: -68.118
flat angles C4'-P-C4' energy: -59.474
flat angles P-C4'-P energy: -28.601
tors. eta vs tors. theta energy: -13.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -438.000407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.000407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.000407 (E_RNA)
where:
Base-Base interactions energy: -231.983
where: short stacking energy: -146.917
Base-Backbone interact. energy: 2.116
local terms energy: -208.133739
where:
bonds (distance) C4'-P energy: -65.982
bonds (distance) P-C4' energy: -67.621
flat angles C4'-P-C4' energy: -49.382
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -309.561575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.561575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.561575 (E_RNA)
where:
Base-Base interactions energy: -92.538
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.568
local terms energy: -216.455584
where:
bonds (distance) C4'-P energy: -66.467
bonds (distance) P-C4' energy: -66.687
flat angles C4'-P-C4' energy: -73.723
flat angles P-C4'-P energy: -29.838
tors. eta vs tors. theta energy: 20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1354.136959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.136959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.136959 (E_RNA)
where:
Base-Base interactions energy: -913.581
where: short stacking energy: -391.117
Base-Backbone interact. energy: -4.722
local terms energy: -435.833780
where:
bonds (distance) C4'-P energy: -82.060
bonds (distance) P-C4' energy: -67.616
flat angles C4'-P-C4' energy: -96.283
flat angles P-C4'-P energy: -67.837
tors. eta vs tors. theta energy: -122.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1262.161855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.161855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.161855 (E_RNA)
where:
Base-Base interactions energy: -861.210
where: short stacking energy: -364.610
Base-Backbone interact. energy: -0.200
local terms energy: -400.751659
where:
bonds (distance) C4'-P energy: -72.277
bonds (distance) P-C4' energy: -80.258
flat angles C4'-P-C4' energy: -79.795
flat angles P-C4'-P energy: -59.744
tors. eta vs tors. theta energy: -108.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1193.460049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.460049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.460049 (E_RNA)
where:
Base-Base interactions energy: -815.606
where: short stacking energy: -357.600
Base-Backbone interact. energy: -2.469
local terms energy: -375.384900
where:
bonds (distance) C4'-P energy: -64.871
bonds (distance) P-C4' energy: -71.321
flat angles C4'-P-C4' energy: -90.527
flat angles P-C4'-P energy: -53.898
tors. eta vs tors. theta energy: -94.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1143.555363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.555363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.555363 (E_RNA)
where:
Base-Base interactions energy: -768.857
where: short stacking energy: -320.702
Base-Backbone interact. energy: -1.177
local terms energy: -373.521830
where:
bonds (distance) C4'-P energy: -72.308
bonds (distance) P-C4' energy: -80.287
flat angles C4'-P-C4' energy: -77.313
flat angles P-C4'-P energy: -58.348
tors. eta vs tors. theta energy: -85.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1067.362832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.362832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.362832 (E_RNA)
where:
Base-Base interactions energy: -705.345
where: short stacking energy: -325.578
Base-Backbone interact. energy: 2.720
local terms energy: -364.737860
where:
bonds (distance) C4'-P energy: -67.846
bonds (distance) P-C4' energy: -72.490
flat angles C4'-P-C4' energy: -76.023
flat angles P-C4'-P energy: -55.181
tors. eta vs tors. theta energy: -93.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -878.748301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.748301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.748301 (E_RNA)
where:
Base-Base interactions energy: -547.660
where: short stacking energy: -265.782
Base-Backbone interact. energy: -0.137
local terms energy: -330.950574
where:
bonds (distance) C4'-P energy: -66.896
bonds (distance) P-C4' energy: -78.041
flat angles C4'-P-C4' energy: -66.965
flat angles P-C4'-P energy: -58.732
tors. eta vs tors. theta energy: -60.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -768.914142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.914142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.914142 (E_RNA)
where:
Base-Base interactions energy: -449.991
where: short stacking energy: -201.805
Base-Backbone interact. energy: -0.923
local terms energy: -317.999977
where:
bonds (distance) C4'-P energy: -69.800
bonds (distance) P-C4' energy: -83.987
flat angles C4'-P-C4' energy: -74.433
flat angles P-C4'-P energy: -48.512
tors. eta vs tors. theta energy: -41.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -478.628804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.628804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.628804 (E_RNA)
where:
Base-Base interactions energy: -231.422
where: short stacking energy: -136.459
Base-Backbone interact. energy: -2.393
local terms energy: -244.814246
where:
bonds (distance) C4'-P energy: -68.010
bonds (distance) P-C4' energy: -65.281
flat angles C4'-P-C4' energy: -64.776
flat angles P-C4'-P energy: -42.889
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -429.125905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.125905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.125905 (E_RNA)
where:
Base-Base interactions energy: -194.394
where: short stacking energy: -107.038
Base-Backbone interact. energy: -2.108
local terms energy: -232.623907
where:
bonds (distance) C4'-P energy: -54.742
bonds (distance) P-C4' energy: -66.995
flat angles C4'-P-C4' energy: -59.359
flat angles P-C4'-P energy: -47.999
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -303.935852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.935852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.935852 (E_RNA)
where:
Base-Base interactions energy: -93.392
where: short stacking energy: -67.873
Base-Backbone interact. energy: 0.618
local terms energy: -211.161194
where:
bonds (distance) C4'-P energy: -75.782
bonds (distance) P-C4' energy: -62.107
flat angles C4'-P-C4' energy: -56.157
flat angles P-C4'-P energy: -29.519
tors. eta vs tors. theta energy: 12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1346.210209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.210209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.210209 (E_RNA)
where:
Base-Base interactions energy: -927.461
where: short stacking energy: -406.639
Base-Backbone interact. energy: 4.457
local terms energy: -423.205836
where:
bonds (distance) C4'-P energy: -79.775
bonds (distance) P-C4' energy: -79.459
flat angles C4'-P-C4' energy: -93.295
flat angles P-C4'-P energy: -58.551
tors. eta vs tors. theta energy: -112.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1254.602945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.602945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.602945 (E_RNA)
where:
Base-Base interactions energy: -837.791
where: short stacking energy: -353.794
Base-Backbone interact. energy: 0.096
local terms energy: -416.908522
where:
bonds (distance) C4'-P energy: -81.077
bonds (distance) P-C4' energy: -73.067
flat angles C4'-P-C4' energy: -89.514
flat angles P-C4'-P energy: -63.721
tors. eta vs tors. theta energy: -109.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1237.909819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.909819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.909819 (E_RNA)
where:
Base-Base interactions energy: -835.382
where: short stacking energy: -379.178
Base-Backbone interact. energy: -0.137
local terms energy: -402.389990
where:
bonds (distance) C4'-P energy: -66.875
bonds (distance) P-C4' energy: -85.594
flat angles C4'-P-C4' energy: -78.625
flat angles P-C4'-P energy: -61.438
tors. eta vs tors. theta energy: -109.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1149.160513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.160513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.160513 (E_RNA)
where:
Base-Base interactions energy: -779.573
where: short stacking energy: -324.466
Base-Backbone interact. energy: -1.500
local terms energy: -368.087161
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -82.920
flat angles C4'-P-C4' energy: -78.350
flat angles P-C4'-P energy: -50.733
tors. eta vs tors. theta energy: -95.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1022.089655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.089655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.089655 (E_RNA)
where:
Base-Base interactions energy: -681.152
where: short stacking energy: -259.622
Base-Backbone interact. energy: -1.400
local terms energy: -339.537340
where:
bonds (distance) C4'-P energy: -78.919
bonds (distance) P-C4' energy: -71.927
flat angles C4'-P-C4' energy: -68.988
flat angles P-C4'-P energy: -43.193
tors. eta vs tors. theta energy: -76.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -846.661273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.661273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.661273 (E_RNA)
where:
Base-Base interactions energy: -555.495
where: short stacking energy: -235.020
Base-Backbone interact. energy: -1.050
local terms energy: -290.116214
where:
bonds (distance) C4'-P energy: -70.775
bonds (distance) P-C4' energy: -73.448
flat angles C4'-P-C4' energy: -67.438
flat angles P-C4'-P energy: -37.060
tors. eta vs tors. theta energy: -41.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -713.032898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.032898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.032898 (E_RNA)
where:
Base-Base interactions energy: -433.070
where: short stacking energy: -190.058
Base-Backbone interact. energy: -0.200
local terms energy: -279.763076
where:
bonds (distance) C4'-P energy: -76.600
bonds (distance) P-C4' energy: -61.987
flat angles C4'-P-C4' energy: -64.183
flat angles P-C4'-P energy: -51.657
tors. eta vs tors. theta energy: -25.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -493.987404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.987404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.987404 (E_RNA)
where:
Base-Base interactions energy: -247.493
where: short stacking energy: -107.650
Base-Backbone interact. energy: -1.438
local terms energy: -245.057088
where:
bonds (distance) C4'-P energy: -71.766
bonds (distance) P-C4' energy: -69.971
flat angles C4'-P-C4' energy: -75.754
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -401.977143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.977143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.977143 (E_RNA)
where:
Base-Base interactions energy: -171.359
where: short stacking energy: -123.812
Base-Backbone interact. energy: -1.105
local terms energy: -229.513787
where:
bonds (distance) C4'-P energy: -61.943
bonds (distance) P-C4' energy: -69.908
flat angles C4'-P-C4' energy: -67.232
flat angles P-C4'-P energy: -30.848
tors. eta vs tors. theta energy: 0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -309.836716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.836716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.836716 (E_RNA)
where:
Base-Base interactions energy: -107.826
where: short stacking energy: -80.541
Base-Backbone interact. energy: 3.491
local terms energy: -205.501811
where:
bonds (distance) C4'-P energy: -62.293
bonds (distance) P-C4' energy: -65.828
flat angles C4'-P-C4' energy: -48.610
flat angles P-C4'-P energy: -42.557
tors. eta vs tors. theta energy: 13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1336.205229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.205229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.205229 (E_RNA)
where:
Base-Base interactions energy: -906.304
where: short stacking energy: -389.697
Base-Backbone interact. energy: -2.600
local terms energy: -427.301525
where:
bonds (distance) C4'-P energy: -77.743
bonds (distance) P-C4' energy: -82.437
flat angles C4'-P-C4' energy: -88.008
flat angles P-C4'-P energy: -62.076
tors. eta vs tors. theta energy: -117.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1235.954584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.954584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.954584 (E_RNA)
where:
Base-Base interactions energy: -850.557
where: short stacking energy: -355.438
Base-Backbone interact. energy: 0.330
local terms energy: -385.727169
where:
bonds (distance) C4'-P energy: -70.326
bonds (distance) P-C4' energy: -75.542
flat angles C4'-P-C4' energy: -86.635
flat angles P-C4'-P energy: -55.473
tors. eta vs tors. theta energy: -97.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1220.084368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.084368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.084368 (E_RNA)
where:
Base-Base interactions energy: -814.360
where: short stacking energy: -352.316
Base-Backbone interact. energy: -0.963
local terms energy: -404.761331
where:
bonds (distance) C4'-P energy: -84.346
bonds (distance) P-C4' energy: -77.105
flat angles C4'-P-C4' energy: -89.331
flat angles P-C4'-P energy: -46.379
tors. eta vs tors. theta energy: -107.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1157.086933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.086933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.086933 (E_RNA)
where:
Base-Base interactions energy: -782.443
where: short stacking energy: -321.912
Base-Backbone interact. energy: 2.298
local terms energy: -376.942758
where:
bonds (distance) C4'-P energy: -78.412
bonds (distance) P-C4' energy: -69.748
flat angles C4'-P-C4' energy: -88.777
flat angles P-C4'-P energy: -41.355
tors. eta vs tors. theta energy: -98.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -978.645983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.645983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.645983 (E_RNA)
where:
Base-Base interactions energy: -651.355
where: short stacking energy: -283.118
Base-Backbone interact. energy: -2.085
local terms energy: -325.206629
where:
bonds (distance) C4'-P energy: -64.624
bonds (distance) P-C4' energy: -65.035
flat angles C4'-P-C4' energy: -81.693
flat angles P-C4'-P energy: -44.134
tors. eta vs tors. theta energy: -69.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -912.461023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.461023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.461023 (E_RNA)
where:
Base-Base interactions energy: -590.481
where: short stacking energy: -265.857
Base-Backbone interact. energy: -1.043
local terms energy: -320.937058
where:
bonds (distance) C4'-P energy: -72.245
bonds (distance) P-C4' energy: -70.308
flat angles C4'-P-C4' energy: -73.674
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -68.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -707.272053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.272053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.272053 (E_RNA)
where:
Base-Base interactions energy: -435.121
where: short stacking energy: -201.687
Base-Backbone interact. energy: 0.407
local terms energy: -272.557805
where:
bonds (distance) C4'-P energy: -50.388
bonds (distance) P-C4' energy: -74.936
flat angles C4'-P-C4' energy: -62.104
flat angles P-C4'-P energy: -46.329
tors. eta vs tors. theta energy: -38.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -479.554357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.554357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.554357 (E_RNA)
where:
Base-Base interactions energy: -226.415
where: short stacking energy: -110.879
Base-Backbone interact. energy: -1.700
local terms energy: -251.439946
where:
bonds (distance) C4'-P energy: -71.653
bonds (distance) P-C4' energy: -71.762
flat angles C4'-P-C4' energy: -70.892
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: 3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -373.106308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.106308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.106308 (E_RNA)
where:
Base-Base interactions energy: -130.947
where: short stacking energy: -99.973
Base-Backbone interact. energy: -1.582
local terms energy: -240.577352
where:
bonds (distance) C4'-P energy: -65.834
bonds (distance) P-C4' energy: -73.248
flat angles C4'-P-C4' energy: -63.571
flat angles P-C4'-P energy: -36.092
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -303.786645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.786645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.786645 (E_RNA)
where:
Base-Base interactions energy: -74.751
where: short stacking energy: -69.985
Base-Backbone interact. energy: -1.474
local terms energy: -227.561474
where:
bonds (distance) C4'-P energy: -72.318
bonds (distance) P-C4' energy: -66.583
flat angles C4'-P-C4' energy: -59.299
flat angles P-C4'-P energy: -43.413
tors. eta vs tors. theta energy: 14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1356.289508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.289508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.289508 (E_RNA)
where:
Base-Base interactions energy: -918.008
where: short stacking energy: -391.456
Base-Backbone interact. energy: 0.602
local terms energy: -438.883387
where:
bonds (distance) C4'-P energy: -77.739
bonds (distance) P-C4' energy: -93.178
flat angles C4'-P-C4' energy: -89.792
flat angles P-C4'-P energy: -54.626
tors. eta vs tors. theta energy: -123.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1266.029043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.029043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.029043 (E_RNA)
where:
Base-Base interactions energy: -859.297
where: short stacking energy: -376.992
Base-Backbone interact. energy: 1.699
local terms energy: -408.430771
where:
bonds (distance) C4'-P energy: -83.186
bonds (distance) P-C4' energy: -70.726
flat angles C4'-P-C4' energy: -79.965
flat angles P-C4'-P energy: -60.391
tors. eta vs tors. theta energy: -114.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1227.841488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.841488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.841488 (E_RNA)
where:
Base-Base interactions energy: -829.641
where: short stacking energy: -373.921
Base-Backbone interact. energy: -1.843
local terms energy: -396.357347
where:
bonds (distance) C4'-P energy: -72.483
bonds (distance) P-C4' energy: -74.722
flat angles C4'-P-C4' energy: -84.682
flat angles P-C4'-P energy: -51.881
tors. eta vs tors. theta energy: -112.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1180.505268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.505268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.505268 (E_RNA)
where:
Base-Base interactions energy: -798.294
where: short stacking energy: -329.542
Base-Backbone interact. energy: 0.314
local terms energy: -382.525446
where:
bonds (distance) C4'-P energy: -66.823
bonds (distance) P-C4' energy: -75.672
flat angles C4'-P-C4' energy: -87.026
flat angles P-C4'-P energy: -54.900
tors. eta vs tors. theta energy: -98.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1010.624227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.624227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.624227 (E_RNA)
where:
Base-Base interactions energy: -649.607
where: short stacking energy: -274.051
Base-Backbone interact. energy: -1.019
local terms energy: -359.998730
where:
bonds (distance) C4'-P energy: -67.967
bonds (distance) P-C4' energy: -84.481
flat angles C4'-P-C4' energy: -86.979
flat angles P-C4'-P energy: -58.495
tors. eta vs tors. theta energy: -62.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -903.954106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.954106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.954106 (E_RNA)
where:
Base-Base interactions energy: -575.848
where: short stacking energy: -263.821
Base-Backbone interact. energy: -1.357
local terms energy: -326.748401
where:
bonds (distance) C4'-P energy: -55.818
bonds (distance) P-C4' energy: -69.459
flat angles C4'-P-C4' energy: -74.351
flat angles P-C4'-P energy: -53.558
tors. eta vs tors. theta energy: -73.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -792.326569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.326569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.326569 (E_RNA)
where:
Base-Base interactions energy: -506.685
where: short stacking energy: -219.903
Base-Backbone interact. energy: -0.894
local terms energy: -284.747632
where:
bonds (distance) C4'-P energy: -76.823
bonds (distance) P-C4' energy: -65.182
flat angles C4'-P-C4' energy: -65.187
flat angles P-C4'-P energy: -42.871
tors. eta vs tors. theta energy: -34.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -506.672595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.672595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.672595 (E_RNA)
where:
Base-Base interactions energy: -249.979
where: short stacking energy: -152.220
Base-Backbone interact. energy: 4.122
local terms energy: -260.815058
where:
bonds (distance) C4'-P energy: -58.504
bonds (distance) P-C4' energy: -79.835
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -38.185
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -336.033732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.033732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.033732 (E_RNA)
where:
Base-Base interactions energy: -122.800
where: short stacking energy: -79.300
Base-Backbone interact. energy: 0.652
local terms energy: -213.886229
where:
bonds (distance) C4'-P energy: -65.576
bonds (distance) P-C4' energy: -76.107
flat angles C4'-P-C4' energy: -53.417
flat angles P-C4'-P energy: -38.933
tors. eta vs tors. theta energy: 20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -327.014230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.014230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.014230 (E_RNA)
where:
Base-Base interactions energy: -118.275
where: short stacking energy: -107.581
Base-Backbone interact. energy: 1.280
local terms energy: -210.019852
where:
bonds (distance) C4'-P energy: -70.474
bonds (distance) P-C4' energy: -59.873
flat angles C4'-P-C4' energy: -39.968
flat angles P-C4'-P energy: -29.939
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1357.574026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.574026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.574026 (E_RNA)
where:
Base-Base interactions energy: -935.144
where: short stacking energy: -398.270
Base-Backbone interact. energy: -1.852
local terms energy: -420.577904
where:
bonds (distance) C4'-P energy: -81.670
bonds (distance) P-C4' energy: -77.925
flat angles C4'-P-C4' energy: -87.088
flat angles P-C4'-P energy: -54.514
tors. eta vs tors. theta energy: -119.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1248.576087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.576087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.576087 (E_RNA)
where:
Base-Base interactions energy: -839.342
where: short stacking energy: -371.213
Base-Backbone interact. energy: -0.383
local terms energy: -408.850217
where:
bonds (distance) C4'-P energy: -68.601
bonds (distance) P-C4' energy: -90.775
flat angles C4'-P-C4' energy: -87.128
flat angles P-C4'-P energy: -54.021
tors. eta vs tors. theta energy: -108.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1233.254207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.254207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.254207 (E_RNA)
where:
Base-Base interactions energy: -824.463
where: short stacking energy: -352.939
Base-Backbone interact. energy: -1.641
local terms energy: -407.149766
where:
bonds (distance) C4'-P energy: -76.033
bonds (distance) P-C4' energy: -71.656
flat angles C4'-P-C4' energy: -95.108
flat angles P-C4'-P energy: -64.121
tors. eta vs tors. theta energy: -100.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1163.060606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.060606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.060606 (E_RNA)
where:
Base-Base interactions energy: -784.565
where: short stacking energy: -333.282
Base-Backbone interact. energy: -1.049
local terms energy: -377.446395
where:
bonds (distance) C4'-P energy: -67.547
bonds (distance) P-C4' energy: -68.985
flat angles C4'-P-C4' energy: -79.765
flat angles P-C4'-P energy: -54.247
tors. eta vs tors. theta energy: -106.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -987.123071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.123071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.123071 (E_RNA)
where:
Base-Base interactions energy: -650.622
where: short stacking energy: -286.231
Base-Backbone interact. energy: -4.301
local terms energy: -332.199286
where:
bonds (distance) C4'-P energy: -66.686
bonds (distance) P-C4' energy: -69.977
flat angles C4'-P-C4' energy: -77.708
flat angles P-C4'-P energy: -49.417
tors. eta vs tors. theta energy: -68.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -859.070998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.070998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.070998 (E_RNA)
where:
Base-Base interactions energy: -539.463
where: short stacking energy: -249.978
Base-Backbone interact. energy: -0.650
local terms energy: -318.958600
where:
bonds (distance) C4'-P energy: -68.108
bonds (distance) P-C4' energy: -75.791
flat angles C4'-P-C4' energy: -71.587
flat angles P-C4'-P energy: -43.377
tors. eta vs tors. theta energy: -60.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -769.806139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.806139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.806139 (E_RNA)
where:
Base-Base interactions energy: -471.425
where: short stacking energy: -224.333
Base-Backbone interact. energy: -0.099
local terms energy: -298.281952
where:
bonds (distance) C4'-P energy: -58.089
bonds (distance) P-C4' energy: -71.017
flat angles C4'-P-C4' energy: -75.198
flat angles P-C4'-P energy: -47.919
tors. eta vs tors. theta energy: -46.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -465.280120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.280120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.280120 (E_RNA)
where:
Base-Base interactions energy: -215.893
where: short stacking energy: -118.340
Base-Backbone interact. energy: 1.584
local terms energy: -250.971308
where:
bonds (distance) C4'-P energy: -79.758
bonds (distance) P-C4' energy: -64.614
flat angles C4'-P-C4' energy: -69.530
flat angles P-C4'-P energy: -29.104
tors. eta vs tors. theta energy: -7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -352.929683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.929683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.929683 (E_RNA)
where:
Base-Base interactions energy: -147.876
where: short stacking energy: -105.306
Base-Backbone interact. energy: 1.830
local terms energy: -206.883839
where:
bonds (distance) C4'-P energy: -73.050
bonds (distance) P-C4' energy: -70.428
flat angles C4'-P-C4' energy: -41.350
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: 9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -310.759946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.759946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.759946 (E_RNA)
where:
Base-Base interactions energy: -104.861
where: short stacking energy: -88.569
Base-Backbone interact. energy: 4.314
local terms energy: -210.213676
where:
bonds (distance) C4'-P energy: -55.370
bonds (distance) P-C4' energy: -72.467
flat angles C4'-P-C4' energy: -53.329
flat angles P-C4'-P energy: -30.049
tors. eta vs tors. theta energy: 1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1360.824660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.824660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.824660 (E_RNA)
where:
Base-Base interactions energy: -913.495
where: short stacking energy: -392.282
Base-Backbone interact. energy: 1.151
local terms energy: -448.480653
where:
bonds (distance) C4'-P energy: -84.958
bonds (distance) P-C4' energy: -78.953
flat angles C4'-P-C4' energy: -92.937
flat angles P-C4'-P energy: -68.283
tors. eta vs tors. theta energy: -123.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1230.050581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.050581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.050581 (E_RNA)
where:
Base-Base interactions energy: -841.466
where: short stacking energy: -358.159
Base-Backbone interact. energy: 1.532
local terms energy: -390.116276
where:
bonds (distance) C4'-P energy: -70.021
bonds (distance) P-C4' energy: -77.467
flat angles C4'-P-C4' energy: -83.665
flat angles P-C4'-P energy: -60.233
tors. eta vs tors. theta energy: -98.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1213.553043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.553043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.553043 (E_RNA)
where:
Base-Base interactions energy: -821.359
where: short stacking energy: -350.534
Base-Backbone interact. energy: -4.064
local terms energy: -388.129239
where:
bonds (distance) C4'-P energy: -78.940
bonds (distance) P-C4' energy: -68.730
flat angles C4'-P-C4' energy: -82.729
flat angles P-C4'-P energy: -55.419
tors. eta vs tors. theta energy: -102.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1154.234302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.234302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.234302 (E_RNA)
where:
Base-Base interactions energy: -817.042
where: short stacking energy: -311.669
Base-Backbone interact. energy: 0.932
local terms energy: -338.124116
where:
bonds (distance) C4'-P energy: -69.295
bonds (distance) P-C4' energy: -65.915
flat angles C4'-P-C4' energy: -79.869
flat angles P-C4'-P energy: -42.582
tors. eta vs tors. theta energy: -80.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -981.534532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.534532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.534532 (E_RNA)
where:
Base-Base interactions energy: -614.029
where: short stacking energy: -281.237
Base-Backbone interact. energy: -2.916
local terms energy: -364.590140
where:
bonds (distance) C4'-P energy: -77.231
bonds (distance) P-C4' energy: -73.414
flat angles C4'-P-C4' energy: -74.937
flat angles P-C4'-P energy: -61.288
tors. eta vs tors. theta energy: -77.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -857.094612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.094612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.094612 (E_RNA)
where:
Base-Base interactions energy: -526.493
where: short stacking energy: -244.356
Base-Backbone interact. energy: 4.781
local terms energy: -335.382662
where:
bonds (distance) C4'-P energy: -76.540
bonds (distance) P-C4' energy: -81.421
flat angles C4'-P-C4' energy: -73.910
flat angles P-C4'-P energy: -45.820
tors. eta vs tors. theta energy: -57.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -735.705800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.705800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.705800 (E_RNA)
where:
Base-Base interactions energy: -449.611
where: short stacking energy: -199.959
Base-Backbone interact. energy: -2.088
local terms energy: -284.006694
where:
bonds (distance) C4'-P energy: -66.295
bonds (distance) P-C4' energy: -72.215
flat angles C4'-P-C4' energy: -70.053
flat angles P-C4'-P energy: -48.262
tors. eta vs tors. theta energy: -27.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -450.950610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.950610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.950610 (E_RNA)
where:
Base-Base interactions energy: -191.409
where: short stacking energy: -123.035
Base-Backbone interact. energy: 2.259
local terms energy: -261.800259
where:
bonds (distance) C4'-P energy: -66.405
bonds (distance) P-C4' energy: -75.408
flat angles C4'-P-C4' energy: -68.536
flat angles P-C4'-P energy: -35.859
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -373.389766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.389766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.389766 (E_RNA)
where:
Base-Base interactions energy: -148.076
where: short stacking energy: -117.368
Base-Backbone interact. energy: 0.746
local terms energy: -226.059802
where:
bonds (distance) C4'-P energy: -67.772
bonds (distance) P-C4' energy: -58.777
flat angles C4'-P-C4' energy: -56.648
flat angles P-C4'-P energy: -42.383
tors. eta vs tors. theta energy: -0.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -320.232671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.232671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.232671 (E_RNA)
where:
Base-Base interactions energy: -98.615
where: short stacking energy: -68.231
Base-Backbone interact. energy: 2.036
local terms energy: -223.653854
where:
bonds (distance) C4'-P energy: -71.839
bonds (distance) P-C4' energy: -72.314
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -49.388
tors. eta vs tors. theta energy: 25.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1348.209791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.209791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.209791 (E_RNA)
where:
Base-Base interactions energy: -936.116
where: short stacking energy: -387.943
Base-Backbone interact. energy: 0.135
local terms energy: -412.229099
where:
bonds (distance) C4'-P energy: -69.555
bonds (distance) P-C4' energy: -79.189
flat angles C4'-P-C4' energy: -83.422
flat angles P-C4'-P energy: -58.230
tors. eta vs tors. theta energy: -121.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1270.317132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.317132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.317132 (E_RNA)
where:
Base-Base interactions energy: -862.528
where: short stacking energy: -385.430
Base-Backbone interact. energy: -1.231
local terms energy: -406.558869
where:
bonds (distance) C4'-P energy: -73.062
bonds (distance) P-C4' energy: -70.257
flat angles C4'-P-C4' energy: -83.423
flat angles P-C4'-P energy: -59.866
tors. eta vs tors. theta energy: -119.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1194.378687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.378687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.378687 (E_RNA)
where:
Base-Base interactions energy: -802.123
where: short stacking energy: -355.890
Base-Backbone interact. energy: 6.397
local terms energy: -398.652373
where:
bonds (distance) C4'-P energy: -70.245
bonds (distance) P-C4' energy: -73.023
flat angles C4'-P-C4' energy: -89.328
flat angles P-C4'-P energy: -62.945
tors. eta vs tors. theta energy: -103.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1155.726355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.726355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.726355 (E_RNA)
where:
Base-Base interactions energy: -795.919
where: short stacking energy: -333.929
Base-Backbone interact. energy: 0.779
local terms energy: -360.586440
where:
bonds (distance) C4'-P energy: -69.413
bonds (distance) P-C4' energy: -66.228
flat angles C4'-P-C4' energy: -89.489
flat angles P-C4'-P energy: -42.648
tors. eta vs tors. theta energy: -92.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -983.531073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.531073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.531073 (E_RNA)
where:
Base-Base interactions energy: -637.251
where: short stacking energy: -264.181
Base-Backbone interact. energy: -3.514
local terms energy: -342.765611
where:
bonds (distance) C4'-P energy: -68.454
bonds (distance) P-C4' energy: -70.679
flat angles C4'-P-C4' energy: -80.809
flat angles P-C4'-P energy: -54.248
tors. eta vs tors. theta energy: -68.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -905.416147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.416147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.416147 (E_RNA)
where:
Base-Base interactions energy: -596.326
where: short stacking energy: -275.244
Base-Backbone interact. energy: -0.591
local terms energy: -308.499281
where:
bonds (distance) C4'-P energy: -59.523
bonds (distance) P-C4' energy: -74.130
flat angles C4'-P-C4' energy: -70.759
flat angles P-C4'-P energy: -41.523
tors. eta vs tors. theta energy: -62.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -741.874577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.874577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.874577 (E_RNA)
where:
Base-Base interactions energy: -425.974
where: short stacking energy: -191.451
Base-Backbone interact. energy: 0.426
local terms energy: -316.326804
where:
bonds (distance) C4'-P energy: -64.200
bonds (distance) P-C4' energy: -70.309
flat angles C4'-P-C4' energy: -76.615
flat angles P-C4'-P energy: -54.118
tors. eta vs tors. theta energy: -51.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -454.945415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.945415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.945415 (E_RNA)
where:
Base-Base interactions energy: -234.955
where: short stacking energy: -151.919
Base-Backbone interact. energy: -1.291
local terms energy: -218.699432
where:
bonds (distance) C4'-P energy: -49.333
bonds (distance) P-C4' energy: -72.527
flat angles C4'-P-C4' energy: -53.051
flat angles P-C4'-P energy: -31.348
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -338.905649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.905649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.905649 (E_RNA)
where:
Base-Base interactions energy: -114.772
where: short stacking energy: -96.463
Base-Backbone interact. energy: 2.519
local terms energy: -226.652708
where:
bonds (distance) C4'-P energy: -61.939
bonds (distance) P-C4' energy: -77.851
flat angles C4'-P-C4' energy: -55.553
flat angles P-C4'-P energy: -27.727
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -322.635534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.635534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.635534 (E_RNA)
where:
Base-Base interactions energy: -129.032
where: short stacking energy: -89.591
Base-Backbone interact. energy: 2.540
local terms energy: -196.143565
where:
bonds (distance) C4'-P energy: -66.134
bonds (distance) P-C4' energy: -72.586
flat angles C4'-P-C4' energy: -52.215
flat angles P-C4'-P energy: -30.245
tors. eta vs tors. theta energy: 25.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1354.107404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.107404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.107404 (E_RNA)
where:
Base-Base interactions energy: -925.253
where: short stacking energy: -399.506
Base-Backbone interact. energy: -1.420
local terms energy: -427.434658
where:
bonds (distance) C4'-P energy: -79.166
bonds (distance) P-C4' energy: -85.158
flat angles C4'-P-C4' energy: -94.793
flat angles P-C4'-P energy: -55.603
tors. eta vs tors. theta energy: -112.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1266.761264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.761264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.761264 (E_RNA)
where:
Base-Base interactions energy: -879.232
where: short stacking energy: -370.127
Base-Backbone interact. energy: -2.004
local terms energy: -385.525288
where:
bonds (distance) C4'-P energy: -72.312
bonds (distance) P-C4' energy: -69.973
flat angles C4'-P-C4' energy: -85.229
flat angles P-C4'-P energy: -44.847
tors. eta vs tors. theta energy: -113.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1200.507246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.507246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.507246 (E_RNA)
where:
Base-Base interactions energy: -811.476
where: short stacking energy: -346.147
Base-Backbone interact. energy: 1.067
local terms energy: -390.097742
where:
bonds (distance) C4'-P energy: -72.868
bonds (distance) P-C4' energy: -78.270
flat angles C4'-P-C4' energy: -75.627
flat angles P-C4'-P energy: -58.110
tors. eta vs tors. theta energy: -105.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1129.866130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.866130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.866130 (E_RNA)
where:
Base-Base interactions energy: -741.176
where: short stacking energy: -297.418
Base-Backbone interact. energy: -1.335
local terms energy: -387.355320
where:
bonds (distance) C4'-P energy: -78.537
bonds (distance) P-C4' energy: -74.690
flat angles C4'-P-C4' energy: -82.932
flat angles P-C4'-P energy: -63.950
tors. eta vs tors. theta energy: -87.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -937.119176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.119176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.119176 (E_RNA)
where:
Base-Base interactions energy: -621.982
where: short stacking energy: -272.508
Base-Backbone interact. energy: 1.107
local terms energy: -316.244442
where:
bonds (distance) C4'-P energy: -79.462
bonds (distance) P-C4' energy: -66.755
flat angles C4'-P-C4' energy: -70.634
flat angles P-C4'-P energy: -35.652
tors. eta vs tors. theta energy: -63.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -925.800423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.800423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.800423 (E_RNA)
where:
Base-Base interactions energy: -591.658
where: short stacking energy: -272.885
Base-Backbone interact. energy: -2.573
local terms energy: -331.569530
where:
bonds (distance) C4'-P energy: -71.542
bonds (distance) P-C4' energy: -79.666
flat angles C4'-P-C4' energy: -68.519
flat angles P-C4'-P energy: -44.664
tors. eta vs tors. theta energy: -67.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -824.660927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.660927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.660927 (E_RNA)
where:
Base-Base interactions energy: -524.639
where: short stacking energy: -233.792
Base-Backbone interact. energy: 2.962
local terms energy: -302.983968
where:
bonds (distance) C4'-P energy: -58.388
bonds (distance) P-C4' energy: -66.495
flat angles C4'-P-C4' energy: -74.388
flat angles P-C4'-P energy: -52.086
tors. eta vs tors. theta energy: -51.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -483.547595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.547595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.547595 (E_RNA)
where:
Base-Base interactions energy: -226.360
where: short stacking energy: -170.032
Base-Backbone interact. energy: 1.280
local terms energy: -258.467627
where:
bonds (distance) C4'-P energy: -62.146
bonds (distance) P-C4' energy: -74.203
flat angles C4'-P-C4' energy: -64.547
flat angles P-C4'-P energy: -31.659
tors. eta vs tors. theta energy: -25.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -379.000848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.000848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.000848 (E_RNA)
where:
Base-Base interactions energy: -137.289
where: short stacking energy: -103.388
Base-Backbone interact. energy: 2.891
local terms energy: -244.602648
where:
bonds (distance) C4'-P energy: -72.720
bonds (distance) P-C4' energy: -76.483
flat angles C4'-P-C4' energy: -64.465
flat angles P-C4'-P energy: -31.070
tors. eta vs tors. theta energy: 0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -322.129562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.129562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.129562 (E_RNA)
where:
Base-Base interactions energy: -113.395
where: short stacking energy: -95.725
Base-Backbone interact. energy: -1.461
local terms energy: -207.273527
where:
bonds (distance) C4'-P energy: -71.110
bonds (distance) P-C4' energy: -62.041
flat angles C4'-P-C4' energy: -61.465
flat angles P-C4'-P energy: -32.514
tors. eta vs tors. theta energy: 19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1369.147126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.147126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.147126 (E_RNA)
where:
Base-Base interactions energy: -938.007
where: short stacking energy: -376.173
Base-Backbone interact. energy: -2.699
local terms energy: -428.440884
where:
bonds (distance) C4'-P energy: -83.592
bonds (distance) P-C4' energy: -80.877
flat angles C4'-P-C4' energy: -87.361
flat angles P-C4'-P energy: -59.729
tors. eta vs tors. theta energy: -116.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1264.542174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.542174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.542174 (E_RNA)
where:
Base-Base interactions energy: -847.801
where: short stacking energy: -343.276
Base-Backbone interact. energy: -4.190
local terms energy: -412.551638
where:
bonds (distance) C4'-P energy: -73.171
bonds (distance) P-C4' energy: -82.940
flat angles C4'-P-C4' energy: -78.785
flat angles P-C4'-P energy: -69.498
tors. eta vs tors. theta energy: -108.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1259.720908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.720908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.720908 (E_RNA)
where:
Base-Base interactions energy: -861.284
where: short stacking energy: -356.259
Base-Backbone interact. energy: -1.066
local terms energy: -397.371519
where:
bonds (distance) C4'-P energy: -77.028
bonds (distance) P-C4' energy: -80.223
flat angles C4'-P-C4' energy: -85.308
flat angles P-C4'-P energy: -46.824
tors. eta vs tors. theta energy: -107.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1090.339045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.339045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.339045 (E_RNA)
where:
Base-Base interactions energy: -726.006
where: short stacking energy: -283.782
Base-Backbone interact. energy: -3.944
local terms energy: -360.388276
where:
bonds (distance) C4'-P energy: -75.078
bonds (distance) P-C4' energy: -82.328
flat angles C4'-P-C4' energy: -75.879
flat angles P-C4'-P energy: -49.681
tors. eta vs tors. theta energy: -77.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -981.780085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.780085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.780085 (E_RNA)
where:
Base-Base interactions energy: -646.023
where: short stacking energy: -272.041
Base-Backbone interact. energy: 1.577
local terms energy: -337.334288
where:
bonds (distance) C4'-P energy: -67.659
bonds (distance) P-C4' energy: -75.420
flat angles C4'-P-C4' energy: -81.828
flat angles P-C4'-P energy: -50.362
tors. eta vs tors. theta energy: -62.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -872.446973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.446973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.446973 (E_RNA)
where:
Base-Base interactions energy: -539.794
where: short stacking energy: -243.275
Base-Backbone interact. energy: -0.138
local terms energy: -332.514945
where:
bonds (distance) C4'-P energy: -74.735
bonds (distance) P-C4' energy: -64.903
flat angles C4'-P-C4' energy: -75.949
flat angles P-C4'-P energy: -45.877
tors. eta vs tors. theta energy: -71.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -789.800311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.800311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.800311 (E_RNA)
where:
Base-Base interactions energy: -503.637
where: short stacking energy: -201.916
Base-Backbone interact. energy: -1.608
local terms energy: -284.555880
where:
bonds (distance) C4'-P energy: -66.685
bonds (distance) P-C4' energy: -71.311
flat angles C4'-P-C4' energy: -65.690
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -35.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -483.887349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.887349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.887349 (E_RNA)
where:
Base-Base interactions energy: -252.393
where: short stacking energy: -144.716
Base-Backbone interact. energy: 1.937
local terms energy: -233.431087
where:
bonds (distance) C4'-P energy: -62.237
bonds (distance) P-C4' energy: -74.080
flat angles C4'-P-C4' energy: -49.190
flat angles P-C4'-P energy: -37.195
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -342.531343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.531343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.531343 (E_RNA)
where:
Base-Base interactions energy: -124.716
where: short stacking energy: -107.602
Base-Backbone interact. energy: 6.701
local terms energy: -224.516930
where:
bonds (distance) C4'-P energy: -62.419
bonds (distance) P-C4' energy: -80.756
flat angles C4'-P-C4' energy: -51.793
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: 14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -333.041216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.041216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.041216 (E_RNA)
where:
Base-Base interactions energy: -117.603
where: short stacking energy: -70.902
Base-Backbone interact. energy: 4.006
local terms energy: -219.444062
where:
bonds (distance) C4'-P energy: -64.238
bonds (distance) P-C4' energy: -77.009
flat angles C4'-P-C4' energy: -49.175
flat angles P-C4'-P energy: -46.031
tors. eta vs tors. theta energy: 17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1356.741663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.741663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.741663 (E_RNA)
where:
Base-Base interactions energy: -943.862
where: short stacking energy: -371.319
Base-Backbone interact. energy: -0.536
local terms energy: -412.343436
where:
bonds (distance) C4'-P energy: -84.443
bonds (distance) P-C4' energy: -76.063
flat angles C4'-P-C4' energy: -80.838
flat angles P-C4'-P energy: -59.372
tors. eta vs tors. theta energy: -111.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1266.940812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.940812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.940812 (E_RNA)
where:
Base-Base interactions energy: -846.933
where: short stacking energy: -363.244
Base-Backbone interact. energy: -0.761
local terms energy: -419.247408
where:
bonds (distance) C4'-P energy: -83.068
bonds (distance) P-C4' energy: -80.441
flat angles C4'-P-C4' energy: -91.378
flat angles P-C4'-P energy: -54.182
tors. eta vs tors. theta energy: -110.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1229.529155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.529155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.529155 (E_RNA)
where:
Base-Base interactions energy: -847.623
where: short stacking energy: -347.567
Base-Backbone interact. energy: 0.993
local terms energy: -382.899151
where:
bonds (distance) C4'-P energy: -63.523
bonds (distance) P-C4' energy: -90.731
flat angles C4'-P-C4' energy: -85.703
flat angles P-C4'-P energy: -47.312
tors. eta vs tors. theta energy: -95.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1093.192700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.192700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.192700 (E_RNA)
where:
Base-Base interactions energy: -720.158
where: short stacking energy: -310.601
Base-Backbone interact. energy: -2.306
local terms energy: -370.728810
where:
bonds (distance) C4'-P energy: -66.277
bonds (distance) P-C4' energy: -74.525
flat angles C4'-P-C4' energy: -85.759
flat angles P-C4'-P energy: -58.044
tors. eta vs tors. theta energy: -86.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -992.707791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.707791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.707791 (E_RNA)
where:
Base-Base interactions energy: -650.677
where: short stacking energy: -271.600
Base-Backbone interact. energy: -3.902
local terms energy: -338.128617
where:
bonds (distance) C4'-P energy: -73.013
bonds (distance) P-C4' energy: -66.540
flat angles C4'-P-C4' energy: -75.008
flat angles P-C4'-P energy: -51.485
tors. eta vs tors. theta energy: -72.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -940.084752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.084752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.084752 (E_RNA)
where:
Base-Base interactions energy: -604.303
where: short stacking energy: -277.738
Base-Backbone interact. energy: -1.248
local terms energy: -334.533063
where:
bonds (distance) C4'-P energy: -60.514
bonds (distance) P-C4' energy: -71.860
flat angles C4'-P-C4' energy: -70.925
flat angles P-C4'-P energy: -55.641
tors. eta vs tors. theta energy: -75.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -715.972527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.972527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.972527 (E_RNA)
where:
Base-Base interactions energy: -434.390
where: short stacking energy: -208.601
Base-Backbone interact. energy: 8.458
local terms energy: -290.041226
where:
bonds (distance) C4'-P energy: -68.162
bonds (distance) P-C4' energy: -71.311
flat angles C4'-P-C4' energy: -68.843
flat angles P-C4'-P energy: -35.362
tors. eta vs tors. theta energy: -46.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -457.064339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.064339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.064339 (E_RNA)
where:
Base-Base interactions energy: -220.094
where: short stacking energy: -137.991
Base-Backbone interact. energy: -0.097
local terms energy: -236.873079
where:
bonds (distance) C4'-P energy: -67.899
bonds (distance) P-C4' energy: -61.398
flat angles C4'-P-C4' energy: -73.401
flat angles P-C4'-P energy: -29.270
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -348.735604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.735604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.735604 (E_RNA)
where:
Base-Base interactions energy: -135.519
where: short stacking energy: -106.507
Base-Backbone interact. energy: 2.797
local terms energy: -216.012840
where:
bonds (distance) C4'-P energy: -53.384
bonds (distance) P-C4' energy: -71.719
flat angles C4'-P-C4' energy: -66.521
flat angles P-C4'-P energy: -33.713
tors. eta vs tors. theta energy: 9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -329.506940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.506940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.506940 (E_RNA)
where:
Base-Base interactions energy: -129.986
where: short stacking energy: -88.631
Base-Backbone interact. energy: 1.686
local terms energy: -201.207004
where:
bonds (distance) C4'-P energy: -59.772
bonds (distance) P-C4' energy: -68.604
flat angles C4'-P-C4' energy: -45.813
flat angles P-C4'-P energy: -30.444
tors. eta vs tors. theta energy: 3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1349.373898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.373898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.373898 (E_RNA)
where:
Base-Base interactions energy: -930.906
where: short stacking energy: -381.601
Base-Backbone interact. energy: -1.930
local terms energy: -416.538560
where:
bonds (distance) C4'-P energy: -78.018
bonds (distance) P-C4' energy: -80.181
flat angles C4'-P-C4' energy: -79.988
flat angles P-C4'-P energy: -60.598
tors. eta vs tors. theta energy: -117.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1269.885810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.885810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.885810 (E_RNA)
where:
Base-Base interactions energy: -861.221
where: short stacking energy: -362.382
Base-Backbone interact. energy: -3.223
local terms energy: -405.441896
where:
bonds (distance) C4'-P energy: -81.797
bonds (distance) P-C4' energy: -80.361
flat angles C4'-P-C4' energy: -84.349
flat angles P-C4'-P energy: -49.192
tors. eta vs tors. theta energy: -109.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1231.230568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.230568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.230568 (E_RNA)
where:
Base-Base interactions energy: -824.673
where: short stacking energy: -346.463
Base-Backbone interact. energy: -0.393
local terms energy: -406.164671
where:
bonds (distance) C4'-P energy: -70.504
bonds (distance) P-C4' energy: -83.865
flat angles C4'-P-C4' energy: -87.682
flat angles P-C4'-P energy: -59.821
tors. eta vs tors. theta energy: -104.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1027.676780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.676780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.676780 (E_RNA)
where:
Base-Base interactions energy: -684.820
where: short stacking energy: -312.155
Base-Backbone interact. energy: -0.720
local terms energy: -342.136802
where:
bonds (distance) C4'-P energy: -55.194
bonds (distance) P-C4' energy: -78.190
flat angles C4'-P-C4' energy: -81.163
flat angles P-C4'-P energy: -46.240
tors. eta vs tors. theta energy: -81.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -996.376412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.376412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.376412 (E_RNA)
where:
Base-Base interactions energy: -648.184
where: short stacking energy: -293.319
Base-Backbone interact. energy: -0.879
local terms energy: -347.312695
where:
bonds (distance) C4'-P energy: -61.957
bonds (distance) P-C4' energy: -77.095
flat angles C4'-P-C4' energy: -77.680
flat angles P-C4'-P energy: -42.562
tors. eta vs tors. theta energy: -88.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -915.570857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.570857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.570857 (E_RNA)
where:
Base-Base interactions energy: -605.995
where: short stacking energy: -282.821
Base-Backbone interact. energy: 1.316
local terms energy: -310.891319
where:
bonds (distance) C4'-P energy: -64.269
bonds (distance) P-C4' energy: -69.452
flat angles C4'-P-C4' energy: -62.074
flat angles P-C4'-P energy: -53.744
tors. eta vs tors. theta energy: -61.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -739.578072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.578072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.578072 (E_RNA)
where:
Base-Base interactions energy: -457.022
where: short stacking energy: -198.905
Base-Backbone interact. energy: -3.943
local terms energy: -278.612868
where:
bonds (distance) C4'-P energy: -64.644
bonds (distance) P-C4' energy: -68.677
flat angles C4'-P-C4' energy: -72.490
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -32.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -471.125667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.125667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.125667 (E_RNA)
where:
Base-Base interactions energy: -240.698
where: short stacking energy: -148.117
Base-Backbone interact. energy: -0.506
local terms energy: -229.921898
where:
bonds (distance) C4'-P energy: -65.264
bonds (distance) P-C4' energy: -74.015
flat angles C4'-P-C4' energy: -46.719
flat angles P-C4'-P energy: -36.299
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -372.146272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.146272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.146272 (E_RNA)
where:
Base-Base interactions energy: -147.256
where: short stacking energy: -119.086
Base-Backbone interact. energy: 0.742
local terms energy: -225.632049
where:
bonds (distance) C4'-P energy: -73.926
bonds (distance) P-C4' energy: -70.998
flat angles C4'-P-C4' energy: -63.941
flat angles P-C4'-P energy: -30.218
tors. eta vs tors. theta energy: 13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -308.741069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.741069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.741069 (E_RNA)
where:
Base-Base interactions energy: -122.249
where: short stacking energy: -78.031
Base-Backbone interact. energy: 0.978
local terms energy: -187.469896
where:
bonds (distance) C4'-P energy: -59.028
bonds (distance) P-C4' energy: -72.243
flat angles C4'-P-C4' energy: -46.623
flat angles P-C4'-P energy: -32.596
tors. eta vs tors. theta energy: 23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1351.663052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.663052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.663052 (E_RNA)
where:
Base-Base interactions energy: -919.727
where: short stacking energy: -390.538
Base-Backbone interact. energy: -2.800
local terms energy: -429.136029
where:
bonds (distance) C4'-P energy: -78.754
bonds (distance) P-C4' energy: -75.775
flat angles C4'-P-C4' energy: -92.541
flat angles P-C4'-P energy: -62.300
tors. eta vs tors. theta energy: -119.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1261.897618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.897618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.897618 (E_RNA)
where:
Base-Base interactions energy: -864.268
where: short stacking energy: -376.040
Base-Backbone interact. energy: -2.308
local terms energy: -395.321541
where:
bonds (distance) C4'-P energy: -67.066
bonds (distance) P-C4' energy: -79.939
flat angles C4'-P-C4' energy: -86.012
flat angles P-C4'-P energy: -55.205
tors. eta vs tors. theta energy: -107.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1232.809093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.809093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.809093 (E_RNA)
where:
Base-Base interactions energy: -829.455
where: short stacking energy: -356.230
Base-Backbone interact. energy: -2.560
local terms energy: -400.793607
where:
bonds (distance) C4'-P energy: -72.100
bonds (distance) P-C4' energy: -84.173
flat angles C4'-P-C4' energy: -77.957
flat angles P-C4'-P energy: -60.600
tors. eta vs tors. theta energy: -105.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1032.384069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.384069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.384069 (E_RNA)
where:
Base-Base interactions energy: -676.586
where: short stacking energy: -286.504
Base-Backbone interact. energy: -0.698
local terms energy: -355.099638
where:
bonds (distance) C4'-P energy: -63.243
bonds (distance) P-C4' energy: -82.260
flat angles C4'-P-C4' energy: -82.360
flat angles P-C4'-P energy: -50.321
tors. eta vs tors. theta energy: -76.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -981.452529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.452529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.452529 (E_RNA)
where:
Base-Base interactions energy: -625.710
where: short stacking energy: -268.202
Base-Backbone interact. energy: 0.168
local terms energy: -355.911172
where:
bonds (distance) C4'-P energy: -75.334
bonds (distance) P-C4' energy: -76.330
flat angles C4'-P-C4' energy: -79.262
flat angles P-C4'-P energy: -48.053
tors. eta vs tors. theta energy: -76.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -919.856751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.856751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.856751 (E_RNA)
where:
Base-Base interactions energy: -578.168
where: short stacking energy: -271.933
Base-Backbone interact. energy: -1.361
local terms energy: -340.327138
where:
bonds (distance) C4'-P energy: -69.304
bonds (distance) P-C4' energy: -82.159
flat angles C4'-P-C4' energy: -71.494
flat angles P-C4'-P energy: -52.869
tors. eta vs tors. theta energy: -64.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -742.002189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.002189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.002189 (E_RNA)
where:
Base-Base interactions energy: -462.577
where: short stacking energy: -219.606
Base-Backbone interact. energy: -2.149
local terms energy: -277.276325
where:
bonds (distance) C4'-P energy: -67.023
bonds (distance) P-C4' energy: -66.875
flat angles C4'-P-C4' energy: -53.100
flat angles P-C4'-P energy: -52.430
tors. eta vs tors. theta energy: -37.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -473.501821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.501821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.501821 (E_RNA)
where:
Base-Base interactions energy: -224.410
where: short stacking energy: -121.580
Base-Backbone interact. energy: -0.374
local terms energy: -248.717832
where:
bonds (distance) C4'-P energy: -53.398
bonds (distance) P-C4' energy: -77.281
flat angles C4'-P-C4' energy: -76.126
flat angles P-C4'-P energy: -41.222
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -340.248226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.248226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.248226 (E_RNA)
where:
Base-Base interactions energy: -130.685
where: short stacking energy: -98.709
Base-Backbone interact. energy: -1.024
local terms energy: -208.539069
where:
bonds (distance) C4'-P energy: -61.915
bonds (distance) P-C4' energy: -66.527
flat angles C4'-P-C4' energy: -46.635
flat angles P-C4'-P energy: -38.797
tors. eta vs tors. theta energy: 5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -332.086587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.086587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.086587 (E_RNA)
where:
Base-Base interactions energy: -118.605
where: short stacking energy: -107.740
Base-Backbone interact. energy: 3.737
local terms energy: -217.218025
where:
bonds (distance) C4'-P energy: -68.123
bonds (distance) P-C4' energy: -67.145
flat angles C4'-P-C4' energy: -53.644
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: 6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1343.374894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.374894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.374894 (E_RNA)
where:
Base-Base interactions energy: -927.900
where: short stacking energy: -388.112
Base-Backbone interact. energy: 0.475
local terms energy: -415.949943
where:
bonds (distance) C4'-P energy: -66.198
bonds (distance) P-C4' energy: -75.095
flat angles C4'-P-C4' energy: -91.111
flat angles P-C4'-P energy: -64.363
tors. eta vs tors. theta energy: -119.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1274.818710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.818710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.818710 (E_RNA)
where:
Base-Base interactions energy: -878.463
where: short stacking energy: -361.322
Base-Backbone interact. energy: 1.945
local terms energy: -398.301433
where:
bonds (distance) C4'-P energy: -77.878
bonds (distance) P-C4' energy: -81.340
flat angles C4'-P-C4' energy: -86.091
flat angles P-C4'-P energy: -55.783
tors. eta vs tors. theta energy: -97.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1238.933465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.933465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.933465 (E_RNA)
where:
Base-Base interactions energy: -836.204
where: short stacking energy: -347.772
Base-Backbone interact. energy: -2.543
local terms energy: -400.186040
where:
bonds (distance) C4'-P energy: -77.899
bonds (distance) P-C4' energy: -72.846
flat angles C4'-P-C4' energy: -89.612
flat angles P-C4'-P energy: -50.378
tors. eta vs tors. theta energy: -109.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1058.000359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.000359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.000359 (E_RNA)
where:
Base-Base interactions energy: -707.638
where: short stacking energy: -309.867
Base-Backbone interact. energy: -1.873
local terms energy: -348.489840
where:
bonds (distance) C4'-P energy: -67.393
bonds (distance) P-C4' energy: -72.041
flat angles C4'-P-C4' energy: -71.719
flat angles P-C4'-P energy: -54.693
tors. eta vs tors. theta energy: -82.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1018.961348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.961348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.961348 (E_RNA)
where:
Base-Base interactions energy: -670.620
where: short stacking energy: -288.136
Base-Backbone interact. energy: -2.284
local terms energy: -346.057156
where:
bonds (distance) C4'-P energy: -66.384
bonds (distance) P-C4' energy: -77.036
flat angles C4'-P-C4' energy: -83.723
flat angles P-C4'-P energy: -36.914
tors. eta vs tors. theta energy: -82.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -903.629932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.629932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.629932 (E_RNA)
where:
Base-Base interactions energy: -587.759
where: short stacking energy: -259.951
Base-Backbone interact. energy: -0.266
local terms energy: -315.605116
where:
bonds (distance) C4'-P energy: -52.269
bonds (distance) P-C4' energy: -68.082
flat angles C4'-P-C4' energy: -77.153
flat angles P-C4'-P energy: -51.907
tors. eta vs tors. theta energy: -66.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -668.346116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.346116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.346116 (E_RNA)
where:
Base-Base interactions energy: -374.835
where: short stacking energy: -198.873
Base-Backbone interact. energy: -0.933
local terms energy: -292.577682
where:
bonds (distance) C4'-P energy: -75.106
bonds (distance) P-C4' energy: -76.565
flat angles C4'-P-C4' energy: -62.186
flat angles P-C4'-P energy: -45.749
tors. eta vs tors. theta energy: -32.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -480.046430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.046430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.046430 (E_RNA)
where:
Base-Base interactions energy: -268.828
where: short stacking energy: -145.605
Base-Backbone interact. energy: -2.228
local terms energy: -208.989955
where:
bonds (distance) C4'-P energy: -67.310
bonds (distance) P-C4' energy: -68.958
flat angles C4'-P-C4' energy: -51.639
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -359.282287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.282287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.282287 (E_RNA)
where:
Base-Base interactions energy: -135.978
where: short stacking energy: -105.022
Base-Backbone interact. energy: -0.139
local terms energy: -223.165754
where:
bonds (distance) C4'-P energy: -64.162
bonds (distance) P-C4' energy: -63.728
flat angles C4'-P-C4' energy: -57.486
flat angles P-C4'-P energy: -40.524
tors. eta vs tors. theta energy: 2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -378.988245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.988245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.988245 (E_RNA)
where:
Base-Base interactions energy: -147.726
where: short stacking energy: -105.778
Base-Backbone interact. energy: 0.725
local terms energy: -231.987199
where:
bonds (distance) C4'-P energy: -55.366
bonds (distance) P-C4' energy: -82.948
flat angles C4'-P-C4' energy: -69.533
flat angles P-C4'-P energy: -34.871
tors. eta vs tors. theta energy: 10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1347.508115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.508115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.508115 (E_RNA)
where:
Base-Base interactions energy: -913.065
where: short stacking energy: -388.316
Base-Backbone interact. energy: -1.788
local terms energy: -432.654863
where:
bonds (distance) C4'-P energy: -80.686
bonds (distance) P-C4' energy: -84.320
flat angles C4'-P-C4' energy: -90.226
flat angles P-C4'-P energy: -58.475
tors. eta vs tors. theta energy: -118.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1271.070264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.070264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.070264 (E_RNA)
where:
Base-Base interactions energy: -868.256
where: short stacking energy: -351.627
Base-Backbone interact. energy: -2.103
local terms energy: -400.711191
where:
bonds (distance) C4'-P energy: -79.182
bonds (distance) P-C4' energy: -79.076
flat angles C4'-P-C4' energy: -80.737
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -101.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1207.919899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.919899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.919899 (E_RNA)
where:
Base-Base interactions energy: -823.964
where: short stacking energy: -341.660
Base-Backbone interact. energy: -2.795
local terms energy: -381.160719
where:
bonds (distance) C4'-P energy: -79.824
bonds (distance) P-C4' energy: -85.894
flat angles C4'-P-C4' energy: -74.082
flat angles P-C4'-P energy: -47.336
tors. eta vs tors. theta energy: -94.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1038.361713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.361713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.361713 (E_RNA)
where:
Base-Base interactions energy: -687.480
where: short stacking energy: -295.076
Base-Backbone interact. energy: -3.170
local terms energy: -347.711389
where:
bonds (distance) C4'-P energy: -64.060
bonds (distance) P-C4' energy: -78.385
flat angles C4'-P-C4' energy: -75.149
flat angles P-C4'-P energy: -52.891
tors. eta vs tors. theta energy: -77.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -986.807890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.807890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.807890 (E_RNA)
where:
Base-Base interactions energy: -634.663
where: short stacking energy: -271.853
Base-Backbone interact. energy: 1.833
local terms energy: -353.977846
where:
bonds (distance) C4'-P energy: -79.119
bonds (distance) P-C4' energy: -74.523
flat angles C4'-P-C4' energy: -71.394
flat angles P-C4'-P energy: -54.924
tors. eta vs tors. theta energy: -74.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -992.673033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.673033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.673033 (E_RNA)
where:
Base-Base interactions energy: -663.023
where: short stacking energy: -297.984
Base-Backbone interact. energy: -1.520
local terms energy: -328.130139
where:
bonds (distance) C4'-P energy: -71.337
bonds (distance) P-C4' energy: -59.801
flat angles C4'-P-C4' energy: -78.171
flat angles P-C4'-P energy: -38.319
tors. eta vs tors. theta energy: -80.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -644.606756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.606756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.606756 (E_RNA)
where:
Base-Base interactions energy: -381.124
where: short stacking energy: -177.515
Base-Backbone interact. energy: 1.686
local terms energy: -265.168689
where:
bonds (distance) C4'-P energy: -59.346
bonds (distance) P-C4' energy: -73.124
flat angles C4'-P-C4' energy: -57.460
flat angles P-C4'-P energy: -46.411
tors. eta vs tors. theta energy: -28.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -522.392653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.392653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.392653 (E_RNA)
where:
Base-Base interactions energy: -256.625
where: short stacking energy: -138.621
Base-Backbone interact. energy: -0.363
local terms energy: -265.403838
where:
bonds (distance) C4'-P energy: -78.792
bonds (distance) P-C4' energy: -79.054
flat angles C4'-P-C4' energy: -64.241
flat angles P-C4'-P energy: -30.549
tors. eta vs tors. theta energy: -12.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -371.235825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.235825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.235825 (E_RNA)
where:
Base-Base interactions energy: -119.659
where: short stacking energy: -93.831
Base-Backbone interact. energy: -3.095
local terms energy: -248.481727
where:
bonds (distance) C4'-P energy: -70.423
bonds (distance) P-C4' energy: -69.663
flat angles C4'-P-C4' energy: -60.138
flat angles P-C4'-P energy: -51.645
tors. eta vs tors. theta energy: 3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -353.214438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.214438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.214438 (E_RNA)
where:
Base-Base interactions energy: -154.378
where: short stacking energy: -92.813
Base-Backbone interact. energy: 0.902
local terms energy: -199.738649
where:
bonds (distance) C4'-P energy: -51.704
bonds (distance) P-C4' energy: -66.477
flat angles C4'-P-C4' energy: -62.370
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1357.819036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.819036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.819036 (E_RNA)
where:
Base-Base interactions energy: -932.000
where: short stacking energy: -385.909
Base-Backbone interact. energy: -3.783
local terms energy: -422.035690
where:
bonds (distance) C4'-P energy: -62.188
bonds (distance) P-C4' energy: -87.512
flat angles C4'-P-C4' energy: -89.023
flat angles P-C4'-P energy: -64.798
tors. eta vs tors. theta energy: -118.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1293.991557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.991557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.991557 (E_RNA)
where:
Base-Base interactions energy: -890.335
where: short stacking energy: -361.161
Base-Backbone interact. energy: -2.377
local terms energy: -401.278819
where:
bonds (distance) C4'-P energy: -67.209
bonds (distance) P-C4' energy: -87.973
flat angles C4'-P-C4' energy: -87.879
flat angles P-C4'-P energy: -56.773
tors. eta vs tors. theta energy: -101.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1220.884787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.884787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.884787 (E_RNA)
where:
Base-Base interactions energy: -810.509
where: short stacking energy: -348.816
Base-Backbone interact. energy: -0.937
local terms energy: -409.439033
where:
bonds (distance) C4'-P energy: -74.946
bonds (distance) P-C4' energy: -82.062
flat angles C4'-P-C4' energy: -91.362
flat angles P-C4'-P energy: -53.455
tors. eta vs tors. theta energy: -107.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1024.787588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.787588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.787588 (E_RNA)
where:
Base-Base interactions energy: -656.845
where: short stacking energy: -291.718
Base-Backbone interact. energy: -0.218
local terms energy: -367.724288
where:
bonds (distance) C4'-P energy: -70.128
bonds (distance) P-C4' energy: -79.451
flat angles C4'-P-C4' energy: -75.478
flat angles P-C4'-P energy: -59.252
tors. eta vs tors. theta energy: -83.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1018.604218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.604218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.604218 (E_RNA)
where:
Base-Base interactions energy: -658.332
where: short stacking energy: -286.836
Base-Backbone interact. energy: -1.864
local terms energy: -358.408757
where:
bonds (distance) C4'-P energy: -73.839
bonds (distance) P-C4' energy: -69.243
flat angles C4'-P-C4' energy: -76.084
flat angles P-C4'-P energy: -57.563
tors. eta vs tors. theta energy: -81.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -915.605048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.605048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.605048 (E_RNA)
where:
Base-Base interactions energy: -588.314
where: short stacking energy: -258.063
Base-Backbone interact. energy: -2.547
local terms energy: -324.744644
where:
bonds (distance) C4'-P energy: -77.788
bonds (distance) P-C4' energy: -70.848
flat angles C4'-P-C4' energy: -69.164
flat angles P-C4'-P energy: -41.688
tors. eta vs tors. theta energy: -65.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -591.434832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.434832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.434832 (E_RNA)
where:
Base-Base interactions energy: -324.431
where: short stacking energy: -160.046
Base-Backbone interact. energy: 0.263
local terms energy: -267.267532
where:
bonds (distance) C4'-P energy: -74.618
bonds (distance) P-C4' energy: -77.449
flat angles C4'-P-C4' energy: -63.122
flat angles P-C4'-P energy: -24.662
tors. eta vs tors. theta energy: -27.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -463.426233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.426233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.426233 (E_RNA)
where:
Base-Base interactions energy: -215.055
where: short stacking energy: -118.953
Base-Backbone interact. energy: 1.000
local terms energy: -249.370950
where:
bonds (distance) C4'-P energy: -65.303
bonds (distance) P-C4' energy: -68.943
flat angles C4'-P-C4' energy: -80.623
flat angles P-C4'-P energy: -32.761
tors. eta vs tors. theta energy: -1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -346.354710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.354710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.354710 (E_RNA)
where:
Base-Base interactions energy: -130.760
where: short stacking energy: -123.029
Base-Backbone interact. energy: -0.774
local terms energy: -214.821103
where:
bonds (distance) C4'-P energy: -65.546
bonds (distance) P-C4' energy: -71.562
flat angles C4'-P-C4' energy: -46.529
flat angles P-C4'-P energy: -30.349
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -319.958384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.958384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.958384 (E_RNA)
where:
Base-Base interactions energy: -106.076
where: short stacking energy: -92.663
Base-Backbone interact. energy: -0.653
local terms energy: -213.229443
where:
bonds (distance) C4'-P energy: -78.217
bonds (distance) P-C4' energy: -60.961
flat angles C4'-P-C4' energy: -56.460
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: 15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1374.042876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.042876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.042876 (E_RNA)
where:
Base-Base interactions energy: -935.378
where: short stacking energy: -375.980
Base-Backbone interact. energy: -0.690
local terms energy: -437.975010
where:
bonds (distance) C4'-P energy: -79.678
bonds (distance) P-C4' energy: -87.075
flat angles C4'-P-C4' energy: -89.688
flat angles P-C4'-P energy: -66.729
tors. eta vs tors. theta energy: -114.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1327.162143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.162143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.162143 (E_RNA)
where:
Base-Base interactions energy: -910.416
where: short stacking energy: -381.309
Base-Backbone interact. energy: -2.443
local terms energy: -414.302892
where:
bonds (distance) C4'-P energy: -72.990
bonds (distance) P-C4' energy: -81.877
flat angles C4'-P-C4' energy: -88.129
flat angles P-C4'-P energy: -55.750
tors. eta vs tors. theta energy: -115.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1209.298530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.298530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.298530 (E_RNA)
where:
Base-Base interactions energy: -815.773
where: short stacking energy: -350.563
Base-Backbone interact. energy: -1.826
local terms energy: -391.698868
where:
bonds (distance) C4'-P energy: -65.181
bonds (distance) P-C4' energy: -81.583
flat angles C4'-P-C4' energy: -83.968
flat angles P-C4'-P energy: -55.927
tors. eta vs tors. theta energy: -105.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1073.148728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.148728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.148728 (E_RNA)
where:
Base-Base interactions energy: -697.071
where: short stacking energy: -306.543
Base-Backbone interact. energy: -1.451
local terms energy: -374.627100
where:
bonds (distance) C4'-P energy: -84.006
bonds (distance) P-C4' energy: -67.041
flat angles C4'-P-C4' energy: -89.572
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -88.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1047.061632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.061632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.061632 (E_RNA)
where:
Base-Base interactions energy: -685.359
where: short stacking energy: -289.938
Base-Backbone interact. energy: -1.040
local terms energy: -360.662704
where:
bonds (distance) C4'-P energy: -77.449
bonds (distance) P-C4' energy: -71.680
flat angles C4'-P-C4' energy: -74.399
flat angles P-C4'-P energy: -55.443
tors. eta vs tors. theta energy: -81.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -828.399188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.399188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.399188 (E_RNA)
where:
Base-Base interactions energy: -517.907
where: short stacking energy: -222.120
Base-Backbone interact. energy: -3.847
local terms energy: -306.645605
where:
bonds (distance) C4'-P energy: -66.951
bonds (distance) P-C4' energy: -78.746
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -50.270
tors. eta vs tors. theta energy: -50.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -709.503131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.503131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.503131 (E_RNA)
where:
Base-Base interactions energy: -408.764
where: short stacking energy: -218.551
Base-Backbone interact. energy: -1.106
local terms energy: -299.633000
where:
bonds (distance) C4'-P energy: -67.309
bonds (distance) P-C4' energy: -69.104
flat angles C4'-P-C4' energy: -70.652
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -54.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -479.545134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.545134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.545134 (E_RNA)
where:
Base-Base interactions energy: -231.005
where: short stacking energy: -134.279
Base-Backbone interact. energy: -0.842
local terms energy: -247.698853
where:
bonds (distance) C4'-P energy: -68.584
bonds (distance) P-C4' energy: -69.148
flat angles C4'-P-C4' energy: -53.115
flat angles P-C4'-P energy: -44.391
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -328.990790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.990790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.990790 (E_RNA)
where:
Base-Base interactions energy: -131.253
where: short stacking energy: -91.934
Base-Backbone interact. energy: 1.064
local terms energy: -198.801317
where:
bonds (distance) C4'-P energy: -57.326
bonds (distance) P-C4' energy: -72.497
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -38.275
tors. eta vs tors. theta energy: 5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -338.904255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.904255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.904255 (E_RNA)
where:
Base-Base interactions energy: -131.669
where: short stacking energy: -95.327
Base-Backbone interact. energy: 2.709
local terms energy: -209.944702
where:
bonds (distance) C4'-P energy: -54.645
bonds (distance) P-C4' energy: -67.690
flat angles C4'-P-C4' energy: -48.793
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: 2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1364.318350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.318350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.318350 (E_RNA)
where:
Base-Base interactions energy: -950.738
where: short stacking energy: -383.683
Base-Backbone interact. energy: -1.210
local terms energy: -412.370386
where:
bonds (distance) C4'-P energy: -74.274
bonds (distance) P-C4' energy: -80.480
flat angles C4'-P-C4' energy: -88.981
flat angles P-C4'-P energy: -57.012
tors. eta vs tors. theta energy: -111.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1313.864263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.864263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.864263 (E_RNA)
where:
Base-Base interactions energy: -905.818
where: short stacking energy: -373.370
Base-Backbone interact. energy: -0.616
local terms energy: -407.430533
where:
bonds (distance) C4'-P energy: -66.859
bonds (distance) P-C4' energy: -75.432
flat angles C4'-P-C4' energy: -88.786
flat angles P-C4'-P energy: -61.915
tors. eta vs tors. theta energy: -114.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1207.325645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.325645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.325645 (E_RNA)
where:
Base-Base interactions energy: -811.661
where: short stacking energy: -347.658
Base-Backbone interact. energy: -2.088
local terms energy: -393.576221
where:
bonds (distance) C4'-P energy: -70.469
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -88.381
flat angles P-C4'-P energy: -60.865
tors. eta vs tors. theta energy: -101.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1061.065210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.065210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.065210 (E_RNA)
where:
Base-Base interactions energy: -701.770
where: short stacking energy: -311.635
Base-Backbone interact. energy: -0.023
local terms energy: -359.272020
where:
bonds (distance) C4'-P energy: -69.362
bonds (distance) P-C4' energy: -76.205
flat angles C4'-P-C4' energy: -86.007
flat angles P-C4'-P energy: -50.659
tors. eta vs tors. theta energy: -77.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1015.008193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.008193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.008193 (E_RNA)
where:
Base-Base interactions energy: -654.808
where: short stacking energy: -259.657
Base-Backbone interact. energy: -3.119
local terms energy: -357.081004
where:
bonds (distance) C4'-P energy: -69.820
bonds (distance) P-C4' energy: -82.458
flat angles C4'-P-C4' energy: -89.175
flat angles P-C4'-P energy: -48.157
tors. eta vs tors. theta energy: -67.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -863.277939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.277939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.277939 (E_RNA)
where:
Base-Base interactions energy: -526.617
where: short stacking energy: -229.743
Base-Backbone interact. energy: -0.960
local terms energy: -335.701497
where:
bonds (distance) C4'-P energy: -72.810
bonds (distance) P-C4' energy: -68.268
flat angles C4'-P-C4' energy: -80.338
flat angles P-C4'-P energy: -56.852
tors. eta vs tors. theta energy: -57.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -748.099593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.099593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.099593 (E_RNA)
where:
Base-Base interactions energy: -443.316
where: short stacking energy: -225.580
Base-Backbone interact. energy: 0.552
local terms energy: -305.335800
where:
bonds (distance) C4'-P energy: -80.151
bonds (distance) P-C4' energy: -69.363
flat angles C4'-P-C4' energy: -59.375
flat angles P-C4'-P energy: -49.765
tors. eta vs tors. theta energy: -46.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -488.433173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.433173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.433173 (E_RNA)
where:
Base-Base interactions energy: -208.787
where: short stacking energy: -143.315
Base-Backbone interact. energy: -0.485
local terms energy: -279.160996
where:
bonds (distance) C4'-P energy: -72.998
bonds (distance) P-C4' energy: -75.402
flat angles C4'-P-C4' energy: -67.510
flat angles P-C4'-P energy: -43.954
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -337.865890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.865890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.865890 (E_RNA)
where:
Base-Base interactions energy: -117.420
where: short stacking energy: -78.724
Base-Backbone interact. energy: -0.485
local terms energy: -219.960760
where:
bonds (distance) C4'-P energy: -69.070
bonds (distance) P-C4' energy: -72.382
flat angles C4'-P-C4' energy: -55.075
flat angles P-C4'-P energy: -34.776
tors. eta vs tors. theta energy: 11.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -324.583172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.583172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.583172 (E_RNA)
where:
Base-Base interactions energy: -143.595
where: short stacking energy: -76.623
Base-Backbone interact. energy: 1.693
local terms energy: -182.681630
where:
bonds (distance) C4'-P energy: -54.443
bonds (distance) P-C4' energy: -63.653
flat angles C4'-P-C4' energy: -63.185
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: 25.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1365.040615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.040615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.040615 (E_RNA)
where:
Base-Base interactions energy: -936.916
where: short stacking energy: -390.354
Base-Backbone interact. energy: 5.013
local terms energy: -433.137764
where:
bonds (distance) C4'-P energy: -74.085
bonds (distance) P-C4' energy: -88.312
flat angles C4'-P-C4' energy: -88.612
flat angles P-C4'-P energy: -60.556
tors. eta vs tors. theta energy: -121.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1295.671044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.671044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.671044 (E_RNA)
where:
Base-Base interactions energy: -885.576
where: short stacking energy: -365.453
Base-Backbone interact. energy: -2.713
local terms energy: -407.382385
where:
bonds (distance) C4'-P energy: -63.651
bonds (distance) P-C4' energy: -85.459
flat angles C4'-P-C4' energy: -86.012
flat angles P-C4'-P energy: -60.879
tors. eta vs tors. theta energy: -111.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1214.232323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.232323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.232323 (E_RNA)
where:
Base-Base interactions energy: -819.749
where: short stacking energy: -353.445
Base-Backbone interact. energy: -3.808
local terms energy: -390.674651
where:
bonds (distance) C4'-P energy: -80.596
bonds (distance) P-C4' energy: -75.863
flat angles C4'-P-C4' energy: -85.784
flat angles P-C4'-P energy: -50.104
tors. eta vs tors. theta energy: -98.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -996.916760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.916760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.916760 (E_RNA)
where:
Base-Base interactions energy: -650.837
where: short stacking energy: -280.476
Base-Backbone interact. energy: -1.206
local terms energy: -344.873816
where:
bonds (distance) C4'-P energy: -69.959
bonds (distance) P-C4' energy: -81.679
flat angles C4'-P-C4' energy: -71.564
flat angles P-C4'-P energy: -47.228
tors. eta vs tors. theta energy: -74.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1008.905579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.905579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.905579 (E_RNA)
where:
Base-Base interactions energy: -678.692
where: short stacking energy: -290.394
Base-Backbone interact. energy: -3.675
local terms energy: -326.538584
where:
bonds (distance) C4'-P energy: -59.773
bonds (distance) P-C4' energy: -70.586
flat angles C4'-P-C4' energy: -85.299
flat angles P-C4'-P energy: -42.209
tors. eta vs tors. theta energy: -68.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -851.358685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.358685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.358685 (E_RNA)
where:
Base-Base interactions energy: -519.876
where: short stacking energy: -247.404
Base-Backbone interact. energy: -2.062
local terms energy: -329.420203
where:
bonds (distance) C4'-P energy: -68.698
bonds (distance) P-C4' energy: -76.634
flat angles C4'-P-C4' energy: -65.480
flat angles P-C4'-P energy: -51.620
tors. eta vs tors. theta energy: -66.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -752.495291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.495291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.495291 (E_RNA)
where:
Base-Base interactions energy: -454.320
where: short stacking energy: -227.720
Base-Backbone interact. energy: 0.192
local terms energy: -298.367847
where:
bonds (distance) C4'-P energy: -71.503
bonds (distance) P-C4' energy: -66.588
flat angles C4'-P-C4' energy: -59.166
flat angles P-C4'-P energy: -45.997
tors. eta vs tors. theta energy: -55.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -471.676422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.676422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.676422 (E_RNA)
where:
Base-Base interactions energy: -215.910
where: short stacking energy: -146.699
Base-Backbone interact. energy: -0.388
local terms energy: -255.378447
where:
bonds (distance) C4'-P energy: -60.723
bonds (distance) P-C4' energy: -66.156
flat angles C4'-P-C4' energy: -63.574
flat angles P-C4'-P energy: -43.898
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -349.671360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.671360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.671360 (E_RNA)
where:
Base-Base interactions energy: -133.785
where: short stacking energy: -106.869
Base-Backbone interact. energy: 0.367
local terms energy: -216.253693
where:
bonds (distance) C4'-P energy: -64.617
bonds (distance) P-C4' energy: -59.333
flat angles C4'-P-C4' energy: -63.299
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: 7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -320.486324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.486324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.486324 (E_RNA)
where:
Base-Base interactions energy: -104.275
where: short stacking energy: -92.826
Base-Backbone interact. energy: 5.963
local terms energy: -222.175064
where:
bonds (distance) C4'-P energy: -56.224
bonds (distance) P-C4' energy: -73.845
flat angles C4'-P-C4' energy: -54.421
flat angles P-C4'-P energy: -33.940
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1362.618412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.618412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.618412 (E_RNA)
where:
Base-Base interactions energy: -933.322
where: short stacking energy: -382.031
Base-Backbone interact. energy: 0.518
local terms energy: -429.814264
where:
bonds (distance) C4'-P energy: -83.098
bonds (distance) P-C4' energy: -74.469
flat angles C4'-P-C4' energy: -97.011
flat angles P-C4'-P energy: -66.313
tors. eta vs tors. theta energy: -108.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1289.334461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.334461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.334461 (E_RNA)
where:
Base-Base interactions energy: -901.179
where: short stacking energy: -387.090
Base-Backbone interact. energy: -0.569
local terms energy: -387.586714
where:
bonds (distance) C4'-P energy: -69.507
bonds (distance) P-C4' energy: -68.896
flat angles C4'-P-C4' energy: -85.859
flat angles P-C4'-P energy: -54.698
tors. eta vs tors. theta energy: -108.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1220.517071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.517071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.517071 (E_RNA)
where:
Base-Base interactions energy: -816.289
where: short stacking energy: -375.235
Base-Backbone interact. energy: -3.104
local terms energy: -401.124353
where:
bonds (distance) C4'-P energy: -81.152
bonds (distance) P-C4' energy: -66.596
flat angles C4'-P-C4' energy: -90.288
flat angles P-C4'-P energy: -50.960
tors. eta vs tors. theta energy: -112.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1063.313663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.313663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.313663 (E_RNA)
where:
Base-Base interactions energy: -695.184
where: short stacking energy: -291.727
Base-Backbone interact. energy: -0.270
local terms energy: -367.859316
where:
bonds (distance) C4'-P energy: -78.135
bonds (distance) P-C4' energy: -73.724
flat angles C4'-P-C4' energy: -86.146
flat angles P-C4'-P energy: -52.268
tors. eta vs tors. theta energy: -77.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -982.841596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.841596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.841596 (E_RNA)
where:
Base-Base interactions energy: -650.541
where: short stacking energy: -289.234
Base-Backbone interact. energy: -0.064
local terms energy: -332.236115
where:
bonds (distance) C4'-P energy: -69.026
bonds (distance) P-C4' energy: -65.052
flat angles C4'-P-C4' energy: -70.303
flat angles P-C4'-P energy: -57.493
tors. eta vs tors. theta energy: -70.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -875.908271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.908271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.908271 (E_RNA)
where:
Base-Base interactions energy: -548.421
where: short stacking energy: -246.340
Base-Backbone interact. energy: 0.391
local terms energy: -327.878857
where:
bonds (distance) C4'-P energy: -74.006
bonds (distance) P-C4' energy: -74.963
flat angles C4'-P-C4' energy: -59.055
flat angles P-C4'-P energy: -46.761
tors. eta vs tors. theta energy: -73.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -699.613289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.613289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.613289 (E_RNA)
where:
Base-Base interactions energy: -436.325
where: short stacking energy: -193.145
Base-Backbone interact. energy: -0.337
local terms energy: -262.951439
where:
bonds (distance) C4'-P energy: -69.941
bonds (distance) P-C4' energy: -76.273
flat angles C4'-P-C4' energy: -63.314
flat angles P-C4'-P energy: -20.886
tors. eta vs tors. theta energy: -32.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -479.688158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.688158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.688158 (E_RNA)
where:
Base-Base interactions energy: -218.876
where: short stacking energy: -127.761
Base-Backbone interact. energy: -0.715
local terms energy: -260.097990
where:
bonds (distance) C4'-P energy: -66.230
bonds (distance) P-C4' energy: -75.006
flat angles C4'-P-C4' energy: -54.703
flat angles P-C4'-P energy: -44.738
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -377.463724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.463724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.463724 (E_RNA)
where:
Base-Base interactions energy: -161.891
where: short stacking energy: -90.316
Base-Backbone interact. energy: -0.376
local terms energy: -215.196239
where:
bonds (distance) C4'-P energy: -71.357
bonds (distance) P-C4' energy: -69.073
flat angles C4'-P-C4' energy: -57.136
flat angles P-C4'-P energy: -28.737
tors. eta vs tors. theta energy: 11.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -326.648492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.648492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.648492 (E_RNA)
where:
Base-Base interactions energy: -138.175
where: short stacking energy: -98.023
Base-Backbone interact. energy: 7.361
local terms energy: -195.834927
where:
bonds (distance) C4'-P energy: -53.065
bonds (distance) P-C4' energy: -68.898
flat angles C4'-P-C4' energy: -41.017
flat angles P-C4'-P energy: -35.287
tors. eta vs tors. theta energy: 2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1373.536903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.536903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.536903 (E_RNA)
where:
Base-Base interactions energy: -945.855
where: short stacking energy: -388.756
Base-Backbone interact. energy: 0.261
local terms energy: -427.943058
where:
bonds (distance) C4'-P energy: -81.398
bonds (distance) P-C4' energy: -79.360
flat angles C4'-P-C4' energy: -87.045
flat angles P-C4'-P energy: -64.324
tors. eta vs tors. theta energy: -115.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1302.041177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.041177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.041177 (E_RNA)
where:
Base-Base interactions energy: -895.714
where: short stacking energy: -370.308
Base-Backbone interact. energy: -3.647
local terms energy: -402.680355
where:
bonds (distance) C4'-P energy: -88.299
bonds (distance) P-C4' energy: -64.300
flat angles C4'-P-C4' energy: -85.854
flat angles P-C4'-P energy: -48.317
tors. eta vs tors. theta energy: -115.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1208.595367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.595367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.595367 (E_RNA)
where:
Base-Base interactions energy: -813.914
where: short stacking energy: -352.846
Base-Backbone interact. energy: -3.071
local terms energy: -391.610525
where:
bonds (distance) C4'-P energy: -70.779
bonds (distance) P-C4' energy: -82.181
flat angles C4'-P-C4' energy: -86.026
flat angles P-C4'-P energy: -51.113
tors. eta vs tors. theta energy: -101.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1083.342186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.342186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.342186 (E_RNA)
where:
Base-Base interactions energy: -710.894
where: short stacking energy: -292.113
Base-Backbone interact. energy: -4.874
local terms energy: -367.575075
where:
bonds (distance) C4'-P energy: -73.073
bonds (distance) P-C4' energy: -70.940
flat angles C4'-P-C4' energy: -80.524
flat angles P-C4'-P energy: -55.551
tors. eta vs tors. theta energy: -87.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -979.489588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.489588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.489588 (E_RNA)
where:
Base-Base interactions energy: -624.305
where: short stacking energy: -283.769
Base-Backbone interact. energy: 1.011
local terms energy: -356.196007
where:
bonds (distance) C4'-P energy: -72.186
bonds (distance) P-C4' energy: -77.113
flat angles C4'-P-C4' energy: -78.416
flat angles P-C4'-P energy: -51.074
tors. eta vs tors. theta energy: -77.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -903.092902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.092902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.092902 (E_RNA)
where:
Base-Base interactions energy: -576.498
where: short stacking energy: -250.997
Base-Backbone interact. energy: -2.606
local terms energy: -323.989125
where:
bonds (distance) C4'-P energy: -67.888
bonds (distance) P-C4' energy: -81.306
flat angles C4'-P-C4' energy: -73.830
flat angles P-C4'-P energy: -37.940
tors. eta vs tors. theta energy: -63.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -702.982040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.982040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.982040 (E_RNA)
where:
Base-Base interactions energy: -415.234
where: short stacking energy: -179.935
Base-Backbone interact. energy: -1.234
local terms energy: -286.514247
where:
bonds (distance) C4'-P energy: -60.925
bonds (distance) P-C4' energy: -68.555
flat angles C4'-P-C4' energy: -72.709
flat angles P-C4'-P energy: -44.212
tors. eta vs tors. theta energy: -40.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -478.411601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.411601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.411601 (E_RNA)
where:
Base-Base interactions energy: -219.011
where: short stacking energy: -123.163
Base-Backbone interact. energy: 1.874
local terms energy: -261.274943
where:
bonds (distance) C4'-P energy: -72.809
bonds (distance) P-C4' energy: -75.461
flat angles C4'-P-C4' energy: -65.547
flat angles P-C4'-P energy: -41.017
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -350.119122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.119122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.119122 (E_RNA)
where:
Base-Base interactions energy: -108.511
where: short stacking energy: -86.265
Base-Backbone interact. energy: -1.627
local terms energy: -239.980657
where:
bonds (distance) C4'-P energy: -74.964
bonds (distance) P-C4' energy: -72.797
flat angles C4'-P-C4' energy: -67.737
flat angles P-C4'-P energy: -27.966
tors. eta vs tors. theta energy: 3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -327.388637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.388637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.388637 (E_RNA)
where:
Base-Base interactions energy: -109.784
where: short stacking energy: -94.986
Base-Backbone interact. energy: -0.139
local terms energy: -217.466186
where:
bonds (distance) C4'-P energy: -64.461
bonds (distance) P-C4' energy: -67.088
flat angles C4'-P-C4' energy: -63.018
flat angles P-C4'-P energy: -36.185
tors. eta vs tors. theta energy: 13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1353.316241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.316241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.316241 (E_RNA)
where:
Base-Base interactions energy: -918.190
where: short stacking energy: -371.804
Base-Backbone interact. energy: -4.166
local terms energy: -430.960496
where:
bonds (distance) C4'-P energy: -86.144
bonds (distance) P-C4' energy: -84.224
flat angles C4'-P-C4' energy: -90.086
flat angles P-C4'-P energy: -50.774
tors. eta vs tors. theta energy: -119.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1334.172268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.172268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.172268 (E_RNA)
where:
Base-Base interactions energy: -922.695
where: short stacking energy: -367.700
Base-Backbone interact. energy: -2.679
local terms energy: -408.797526
where:
bonds (distance) C4'-P energy: -72.296
bonds (distance) P-C4' energy: -82.616
flat angles C4'-P-C4' energy: -84.996
flat angles P-C4'-P energy: -56.567
tors. eta vs tors. theta energy: -112.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1210.316151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.316151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.316151 (E_RNA)
where:
Base-Base interactions energy: -811.735
where: short stacking energy: -338.407
Base-Backbone interact. energy: -2.846
local terms energy: -395.734471
where:
bonds (distance) C4'-P energy: -71.601
bonds (distance) P-C4' energy: -72.355
flat angles C4'-P-C4' energy: -84.956
flat angles P-C4'-P energy: -62.370
tors. eta vs tors. theta energy: -104.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1109.963718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.963718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.963718 (E_RNA)
where:
Base-Base interactions energy: -731.165
where: short stacking energy: -334.044
Base-Backbone interact. energy: -2.628
local terms energy: -376.171024
where:
bonds (distance) C4'-P energy: -73.181
bonds (distance) P-C4' energy: -76.119
flat angles C4'-P-C4' energy: -85.054
flat angles P-C4'-P energy: -63.053
tors. eta vs tors. theta energy: -78.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1041.549169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.549169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.549169 (E_RNA)
where:
Base-Base interactions energy: -692.195
where: short stacking energy: -294.573
Base-Backbone interact. energy: 0.041
local terms energy: -349.394979
where:
bonds (distance) C4'-P energy: -69.667
bonds (distance) P-C4' energy: -68.292
flat angles C4'-P-C4' energy: -75.900
flat angles P-C4'-P energy: -53.555
tors. eta vs tors. theta energy: -81.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -887.602987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.602987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.602987 (E_RNA)
where:
Base-Base interactions energy: -571.885
where: short stacking energy: -245.514
Base-Backbone interact. energy: -1.655
local terms energy: -314.063098
where:
bonds (distance) C4'-P energy: -59.722
bonds (distance) P-C4' energy: -64.314
flat angles C4'-P-C4' energy: -73.555
flat angles P-C4'-P energy: -55.682
tors. eta vs tors. theta energy: -60.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -670.734234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.734234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.734234 (E_RNA)
where:
Base-Base interactions energy: -385.960
where: short stacking energy: -167.843
Base-Backbone interact. energy: -1.471
local terms energy: -283.303446
where:
bonds (distance) C4'-P energy: -69.130
bonds (distance) P-C4' energy: -78.179
flat angles C4'-P-C4' energy: -73.793
flat angles P-C4'-P energy: -44.211
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -444.693520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.693520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.693520 (E_RNA)
where:
Base-Base interactions energy: -203.585
where: short stacking energy: -100.700
Base-Backbone interact. energy: 0.392
local terms energy: -241.500563
where:
bonds (distance) C4'-P energy: -81.548
bonds (distance) P-C4' energy: -67.997
flat angles C4'-P-C4' energy: -54.660
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: 3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -359.411431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.411431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.411431 (E_RNA)
where:
Base-Base interactions energy: -135.245
where: short stacking energy: -109.822
Base-Backbone interact. energy: -0.696
local terms energy: -223.470861
where:
bonds (distance) C4'-P energy: -64.745
bonds (distance) P-C4' energy: -70.899
flat angles C4'-P-C4' energy: -61.867
flat angles P-C4'-P energy: -41.789
tors. eta vs tors. theta energy: 15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -313.488394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.488394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.488394 (E_RNA)
where:
Base-Base interactions energy: -107.451
where: short stacking energy: -75.281
Base-Backbone interact. energy: -0.507
local terms energy: -205.531062
where:
bonds (distance) C4'-P energy: -76.109
bonds (distance) P-C4' energy: -63.476
flat angles C4'-P-C4' energy: -57.113
flat angles P-C4'-P energy: -39.422
tors. eta vs tors. theta energy: 30.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1338.921248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.921248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.921248 (E_RNA)
where:
Base-Base interactions energy: -927.905
where: short stacking energy: -381.980
Base-Backbone interact. energy: -2.692
local terms energy: -408.324344
where:
bonds (distance) C4'-P energy: -80.377
bonds (distance) P-C4' energy: -75.322
flat angles C4'-P-C4' energy: -81.844
flat angles P-C4'-P energy: -49.131
tors. eta vs tors. theta energy: -121.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1328.297019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.297019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.297019 (E_RNA)
where:
Base-Base interactions energy: -922.188
where: short stacking energy: -384.890
Base-Backbone interact. energy: 0.902
local terms energy: -407.010954
where:
bonds (distance) C4'-P energy: -66.030
bonds (distance) P-C4' energy: -84.316
flat angles C4'-P-C4' energy: -85.303
flat angles P-C4'-P energy: -61.573
tors. eta vs tors. theta energy: -109.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1184.571926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.571926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.571926 (E_RNA)
where:
Base-Base interactions energy: -800.548
where: short stacking energy: -341.853
Base-Backbone interact. energy: -3.353
local terms energy: -380.670987
where:
bonds (distance) C4'-P energy: -58.671
bonds (distance) P-C4' energy: -75.754
flat angles C4'-P-C4' energy: -87.050
flat angles P-C4'-P energy: -54.453
tors. eta vs tors. theta energy: -104.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1051.318240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.318240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.318240 (E_RNA)
where:
Base-Base interactions energy: -692.772
where: short stacking energy: -285.790
Base-Backbone interact. energy: -1.993
local terms energy: -356.552970
where:
bonds (distance) C4'-P energy: -73.903
bonds (distance) P-C4' energy: -75.922
flat angles C4'-P-C4' energy: -74.053
flat angles P-C4'-P energy: -52.793
tors. eta vs tors. theta energy: -79.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1061.348004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.348004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.348004 (E_RNA)
where:
Base-Base interactions energy: -706.316
where: short stacking energy: -289.706
Base-Backbone interact. energy: -1.111
local terms energy: -353.921393
where:
bonds (distance) C4'-P energy: -69.367
bonds (distance) P-C4' energy: -63.234
flat angles C4'-P-C4' energy: -85.819
flat angles P-C4'-P energy: -51.611
tors. eta vs tors. theta energy: -83.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -883.650150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.650150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.650150 (E_RNA)
where:
Base-Base interactions energy: -577.718
where: short stacking energy: -264.720
Base-Backbone interact. energy: -0.053
local terms energy: -305.879222
where:
bonds (distance) C4'-P energy: -68.633
bonds (distance) P-C4' energy: -57.249
flat angles C4'-P-C4' energy: -64.111
flat angles P-C4'-P energy: -45.563
tors. eta vs tors. theta energy: -70.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -664.801909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.801909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.801909 (E_RNA)
where:
Base-Base interactions energy: -365.103
where: short stacking energy: -178.958
Base-Backbone interact. energy: -1.644
local terms energy: -298.055442
where:
bonds (distance) C4'-P energy: -57.334
bonds (distance) P-C4' energy: -69.660
flat angles C4'-P-C4' energy: -74.061
flat angles P-C4'-P energy: -50.466
tors. eta vs tors. theta energy: -46.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -380.907608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.907608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.907608 (E_RNA)
where:
Base-Base interactions energy: -151.101
where: short stacking energy: -102.711
Base-Backbone interact. energy: 0.599
local terms energy: -230.405439
where:
bonds (distance) C4'-P energy: -65.101
bonds (distance) P-C4' energy: -74.966
flat angles C4'-P-C4' energy: -47.177
flat angles P-C4'-P energy: -38.847
tors. eta vs tors. theta energy: -4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -366.248854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.248854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.248854 (E_RNA)
where:
Base-Base interactions energy: -143.893
where: short stacking energy: -100.274
Base-Backbone interact. energy: -0.743
local terms energy: -221.612656
where:
bonds (distance) C4'-P energy: -66.573
bonds (distance) P-C4' energy: -66.194
flat angles C4'-P-C4' energy: -62.782
flat angles P-C4'-P energy: -26.869
tors. eta vs tors. theta energy: 0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -316.438783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.438783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.438783 (E_RNA)
where:
Base-Base interactions energy: -119.457
where: short stacking energy: -92.784
Base-Backbone interact. energy: 2.315
local terms energy: -199.296473
where:
bonds (distance) C4'-P energy: -57.350
bonds (distance) P-C4' energy: -67.963
flat angles C4'-P-C4' energy: -55.137
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: 8.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1361.712717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.712717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.712717 (E_RNA)
where:
Base-Base interactions energy: -925.578
where: short stacking energy: -392.017
Base-Backbone interact. energy: -2.456
local terms energy: -433.678664
where:
bonds (distance) C4'-P energy: -76.144
bonds (distance) P-C4' energy: -84.459
flat angles C4'-P-C4' energy: -84.325
flat angles P-C4'-P energy: -65.351
tors. eta vs tors. theta energy: -123.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1350.325777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.325777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.325777 (E_RNA)
where:
Base-Base interactions energy: -933.120
where: short stacking energy: -390.904
Base-Backbone interact. energy: -2.040
local terms energy: -415.165316
where:
bonds (distance) C4'-P energy: -83.483
bonds (distance) P-C4' energy: -82.005
flat angles C4'-P-C4' energy: -82.942
flat angles P-C4'-P energy: -56.165
tors. eta vs tors. theta energy: -110.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1171.055796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.055796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.055796 (E_RNA)
where:
Base-Base interactions energy: -795.755
where: short stacking energy: -342.263
Base-Backbone interact. energy: -0.561
local terms energy: -374.740187
where:
bonds (distance) C4'-P energy: -58.912
bonds (distance) P-C4' energy: -74.172
flat angles C4'-P-C4' energy: -85.502
flat angles P-C4'-P energy: -55.682
tors. eta vs tors. theta energy: -100.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1064.008637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.008637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.008637 (E_RNA)
where:
Base-Base interactions energy: -711.638
where: short stacking energy: -282.909
Base-Backbone interact. energy: -2.904
local terms energy: -349.466871
where:
bonds (distance) C4'-P energy: -73.884
bonds (distance) P-C4' energy: -76.836
flat angles C4'-P-C4' energy: -86.386
flat angles P-C4'-P energy: -37.963
tors. eta vs tors. theta energy: -74.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1045.931326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.931326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.931326 (E_RNA)
where:
Base-Base interactions energy: -663.526
where: short stacking energy: -294.663
Base-Backbone interact. energy: -0.757
local terms energy: -381.648465
where:
bonds (distance) C4'-P energy: -72.957
bonds (distance) P-C4' energy: -82.803
flat angles C4'-P-C4' energy: -78.261
flat angles P-C4'-P energy: -54.935
tors. eta vs tors. theta energy: -92.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -870.664652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.664652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.664652 (E_RNA)
where:
Base-Base interactions energy: -547.833
where: short stacking energy: -258.828
Base-Backbone interact. energy: -0.953
local terms energy: -321.878646
where:
bonds (distance) C4'-P energy: -61.132
bonds (distance) P-C4' energy: -72.290
flat angles C4'-P-C4' energy: -77.129
flat angles P-C4'-P energy: -49.206
tors. eta vs tors. theta energy: -62.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -665.229843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.229843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.229843 (E_RNA)
where:
Base-Base interactions energy: -395.667
where: short stacking energy: -185.700
Base-Backbone interact. energy: -2.143
local terms energy: -267.419864
where:
bonds (distance) C4'-P energy: -61.922
bonds (distance) P-C4' energy: -65.040
flat angles C4'-P-C4' energy: -66.721
flat angles P-C4'-P energy: -49.009
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -371.507544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.507544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.507544 (E_RNA)
where:
Base-Base interactions energy: -134.440
where: short stacking energy: -118.416
Base-Backbone interact. energy: -0.103
local terms energy: -236.964057
where:
bonds (distance) C4'-P energy: -64.303
bonds (distance) P-C4' energy: -73.840
flat angles C4'-P-C4' energy: -68.692
flat angles P-C4'-P energy: -30.990
tors. eta vs tors. theta energy: 0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -350.795219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.795219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.795219 (E_RNA)
where:
Base-Base interactions energy: -124.629
where: short stacking energy: -102.147
Base-Backbone interact. energy: -1.000
local terms energy: -225.166043
where:
bonds (distance) C4'-P energy: -67.474
bonds (distance) P-C4' energy: -58.942
flat angles C4'-P-C4' energy: -69.345
flat angles P-C4'-P energy: -35.912
tors. eta vs tors. theta energy: 6.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -320.842427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.842427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.842427 (E_RNA)
where:
Base-Base interactions energy: -128.369
where: short stacking energy: -94.832
Base-Backbone interact. energy: -1.504
local terms energy: -190.968952
where:
bonds (distance) C4'-P energy: -60.525
bonds (distance) P-C4' energy: -68.504
flat angles C4'-P-C4' energy: -54.365
flat angles P-C4'-P energy: -24.132
tors. eta vs tors. theta energy: 16.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1357.074744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.074744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.074744 (E_RNA)
where:
Base-Base interactions energy: -929.688
where: short stacking energy: -381.194
Base-Backbone interact. energy: -0.634
local terms energy: -426.753145
where:
bonds (distance) C4'-P energy: -83.016
bonds (distance) P-C4' energy: -78.746
flat angles C4'-P-C4' energy: -88.517
flat angles P-C4'-P energy: -56.398
tors. eta vs tors. theta energy: -120.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1316.843547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.843547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.843547 (E_RNA)
where:
Base-Base interactions energy: -914.087
where: short stacking energy: -385.036
Base-Backbone interact. energy: -1.298
local terms energy: -401.458166
where:
bonds (distance) C4'-P energy: -79.352
bonds (distance) P-C4' energy: -71.337
flat angles C4'-P-C4' energy: -86.248
flat angles P-C4'-P energy: -55.577
tors. eta vs tors. theta energy: -108.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1193.321477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.321477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.321477 (E_RNA)
where:
Base-Base interactions energy: -803.537
where: short stacking energy: -355.819
Base-Backbone interact. energy: -2.027
local terms energy: -387.757236
where:
bonds (distance) C4'-P energy: -70.822
bonds (distance) P-C4' energy: -75.075
flat angles C4'-P-C4' energy: -79.998
flat angles P-C4'-P energy: -59.016
tors. eta vs tors. theta energy: -102.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1086.225963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.225963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.225963 (E_RNA)
where:
Base-Base interactions energy: -734.804
where: short stacking energy: -303.128
Base-Backbone interact. energy: 1.400
local terms energy: -352.822094
where:
bonds (distance) C4'-P energy: -56.249
bonds (distance) P-C4' energy: -76.321
flat angles C4'-P-C4' energy: -78.359
flat angles P-C4'-P energy: -54.525
tors. eta vs tors. theta energy: -87.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1112.862195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.862195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.862195 (E_RNA)
where:
Base-Base interactions energy: -757.808
where: short stacking energy: -312.512
Base-Backbone interact. energy: -1.055
local terms energy: -353.999360
where:
bonds (distance) C4'-P energy: -69.349
bonds (distance) P-C4' energy: -68.790
flat angles C4'-P-C4' energy: -82.547
flat angles P-C4'-P energy: -48.404
tors. eta vs tors. theta energy: -84.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -925.475263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.475263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.475263 (E_RNA)
where:
Base-Base interactions energy: -580.804
where: short stacking energy: -273.669
Base-Backbone interact. energy: -0.315
local terms energy: -344.356046
where:
bonds (distance) C4'-P energy: -75.498
bonds (distance) P-C4' energy: -78.439
flat angles C4'-P-C4' energy: -72.336
flat angles P-C4'-P energy: -43.147
tors. eta vs tors. theta energy: -74.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -605.187792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.187792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.187792 (E_RNA)
where:
Base-Base interactions energy: -352.181
where: short stacking energy: -178.312
Base-Backbone interact. energy: 0.744
local terms energy: -253.750621
where:
bonds (distance) C4'-P energy: -51.670
bonds (distance) P-C4' energy: -64.176
flat angles C4'-P-C4' energy: -83.000
flat angles P-C4'-P energy: -25.624
tors. eta vs tors. theta energy: -29.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -356.160269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.160269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.160269 (E_RNA)
where:
Base-Base interactions energy: -138.225
where: short stacking energy: -108.427
Base-Backbone interact. energy: 1.134
local terms energy: -219.069327
where:
bonds (distance) C4'-P energy: -66.411
bonds (distance) P-C4' energy: -55.793
flat angles C4'-P-C4' energy: -52.947
flat angles P-C4'-P energy: -42.573
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -380.420328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.420328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.420328 (E_RNA)
where:
Base-Base interactions energy: -154.921
where: short stacking energy: -109.457
Base-Backbone interact. energy: 0.274
local terms energy: -225.773219
where:
bonds (distance) C4'-P energy: -64.058
bonds (distance) P-C4' energy: -67.615
flat angles C4'-P-C4' energy: -70.210
flat angles P-C4'-P energy: -35.252
tors. eta vs tors. theta energy: 11.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -314.998548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.998548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.998548 (E_RNA)
where:
Base-Base interactions energy: -101.839
where: short stacking energy: -84.212
Base-Backbone interact. energy: 5.299
local terms energy: -218.458567
where:
bonds (distance) C4'-P energy: -64.075
bonds (distance) P-C4' energy: -79.518
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: 9.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1359.208327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.208327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.208327 (E_RNA)
where:
Base-Base interactions energy: -924.293
where: short stacking energy: -394.763
Base-Backbone interact. energy: -1.651
local terms energy: -433.263914
where:
bonds (distance) C4'-P energy: -71.797
bonds (distance) P-C4' energy: -88.773
flat angles C4'-P-C4' energy: -86.566
flat angles P-C4'-P energy: -65.749
tors. eta vs tors. theta energy: -120.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1317.815280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.815280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.815280 (E_RNA)
where:
Base-Base interactions energy: -907.881
where: short stacking energy: -363.701
Base-Backbone interact. energy: 0.560
local terms energy: -410.493570
where:
bonds (distance) C4'-P energy: -77.869
bonds (distance) P-C4' energy: -80.154
flat angles C4'-P-C4' energy: -90.062
flat angles P-C4'-P energy: -53.513
tors. eta vs tors. theta energy: -108.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1194.847665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.847665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.847665 (E_RNA)
where:
Base-Base interactions energy: -798.333
where: short stacking energy: -353.531
Base-Backbone interact. energy: -2.945
local terms energy: -393.570257
where:
bonds (distance) C4'-P energy: -73.162
bonds (distance) P-C4' energy: -70.480
flat angles C4'-P-C4' energy: -83.756
flat angles P-C4'-P energy: -60.592
tors. eta vs tors. theta energy: -105.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1153.915570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.915570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.915570 (E_RNA)
where:
Base-Base interactions energy: -768.156
where: short stacking energy: -331.507
Base-Backbone interact. energy: -2.592
local terms energy: -383.167189
where:
bonds (distance) C4'-P energy: -75.878
bonds (distance) P-C4' energy: -69.611
flat angles C4'-P-C4' energy: -83.096
flat angles P-C4'-P energy: -55.828
tors. eta vs tors. theta energy: -98.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1033.696994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.696994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.696994 (E_RNA)
where:
Base-Base interactions energy: -713.822
where: short stacking energy: -302.417
Base-Backbone interact. energy: 4.394
local terms energy: -324.269221
where:
bonds (distance) C4'-P energy: -68.527
bonds (distance) P-C4' energy: -59.157
flat angles C4'-P-C4' energy: -75.685
flat angles P-C4'-P energy: -43.670
tors. eta vs tors. theta energy: -77.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -912.034518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.034518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.034518 (E_RNA)
where:
Base-Base interactions energy: -583.134
where: short stacking energy: -266.662
Base-Backbone interact. energy: 0.007
local terms energy: -328.907400
where:
bonds (distance) C4'-P energy: -67.906
bonds (distance) P-C4' energy: -70.708
flat angles C4'-P-C4' energy: -74.006
flat angles P-C4'-P energy: -47.454
tors. eta vs tors. theta energy: -68.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -609.643588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.643588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.643588 (E_RNA)
where:
Base-Base interactions energy: -347.217
where: short stacking energy: -194.218
Base-Backbone interact. energy: 0.092
local terms energy: -262.518975
where:
bonds (distance) C4'-P energy: -73.587
bonds (distance) P-C4' energy: -70.352
flat angles C4'-P-C4' energy: -62.226
flat angles P-C4'-P energy: -37.744
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -408.809777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.809777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.809777 (E_RNA)
where:
Base-Base interactions energy: -158.226
where: short stacking energy: -89.054
Base-Backbone interact. energy: -0.681
local terms energy: -249.903114
where:
bonds (distance) C4'-P energy: -65.737
bonds (distance) P-C4' energy: -80.711
flat angles C4'-P-C4' energy: -65.807
flat angles P-C4'-P energy: -38.465
tors. eta vs tors. theta energy: 0.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -346.512722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.512722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.512722 (E_RNA)
where:
Base-Base interactions energy: -126.474
where: short stacking energy: -86.361
Base-Backbone interact. energy: -0.342
local terms energy: -219.696672
where:
bonds (distance) C4'-P energy: -59.448
bonds (distance) P-C4' energy: -76.739
flat angles C4'-P-C4' energy: -62.087
flat angles P-C4'-P energy: -34.225
tors. eta vs tors. theta energy: 12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -301.623210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.623210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.623210 (E_RNA)
where:
Base-Base interactions energy: -99.775
where: short stacking energy: -75.418
Base-Backbone interact. energy: -1.559
local terms energy: -200.288918
where:
bonds (distance) C4'-P energy: -69.480
bonds (distance) P-C4' energy: -54.080
flat angles C4'-P-C4' energy: -56.151
flat angles P-C4'-P energy: -37.154
tors. eta vs tors. theta energy: 16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1350.637858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.637858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.637858 (E_RNA)
where:
Base-Base interactions energy: -924.878
where: short stacking energy: -398.645
Base-Backbone interact. energy: -2.419
local terms energy: -423.341594
where:
bonds (distance) C4'-P energy: -80.493
bonds (distance) P-C4' energy: -81.358
flat angles C4'-P-C4' energy: -82.164
flat angles P-C4'-P energy: -57.296
tors. eta vs tors. theta energy: -122.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1314.904840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.904840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.904840 (E_RNA)
where:
Base-Base interactions energy: -913.131
where: short stacking energy: -364.478
Base-Backbone interact. energy: -0.435
local terms energy: -401.338209
where:
bonds (distance) C4'-P energy: -72.304
bonds (distance) P-C4' energy: -83.463
flat angles C4'-P-C4' energy: -87.611
flat angles P-C4'-P energy: -48.442
tors. eta vs tors. theta energy: -109.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1266.591457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.591457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.591457 (E_RNA)
where:
Base-Base interactions energy: -852.982
where: short stacking energy: -357.344
Base-Backbone interact. energy: -2.456
local terms energy: -411.153163
where:
bonds (distance) C4'-P energy: -78.823
bonds (distance) P-C4' energy: -72.479
flat angles C4'-P-C4' energy: -89.761
flat angles P-C4'-P energy: -54.822
tors. eta vs tors. theta energy: -115.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1164.786727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.786727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.786727 (E_RNA)
where:
Base-Base interactions energy: -774.483
where: short stacking energy: -335.291
Base-Backbone interact. energy: -0.925
local terms energy: -389.378887
where:
bonds (distance) C4'-P energy: -83.259
bonds (distance) P-C4' energy: -77.567
flat angles C4'-P-C4' energy: -78.160
flat angles P-C4'-P energy: -45.437
tors. eta vs tors. theta energy: -104.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -997.002706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.002706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.002706 (E_RNA)
where:
Base-Base interactions energy: -656.844
where: short stacking energy: -282.679
Base-Backbone interact. energy: -3.011
local terms energy: -337.148240
where:
bonds (distance) C4'-P energy: -71.003
bonds (distance) P-C4' energy: -70.974
flat angles C4'-P-C4' energy: -68.159
flat angles P-C4'-P energy: -44.019
tors. eta vs tors. theta energy: -82.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -944.925157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.925157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.925157 (E_RNA)
where:
Base-Base interactions energy: -617.188
where: short stacking energy: -289.021
Base-Backbone interact. energy: 1.695
local terms energy: -329.431590
where:
bonds (distance) C4'-P energy: -59.703
bonds (distance) P-C4' energy: -66.664
flat angles C4'-P-C4' energy: -67.059
flat angles P-C4'-P energy: -49.548
tors. eta vs tors. theta energy: -86.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -627.796184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.796184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.796184 (E_RNA)
where:
Base-Base interactions energy: -353.785
where: short stacking energy: -171.672
Base-Backbone interact. energy: 1.062
local terms energy: -275.073561
where:
bonds (distance) C4'-P energy: -63.583
bonds (distance) P-C4' energy: -73.166
flat angles C4'-P-C4' energy: -59.858
flat angles P-C4'-P energy: -48.967
tors. eta vs tors. theta energy: -29.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -445.501916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.501916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.501916 (E_RNA)
where:
Base-Base interactions energy: -183.681
where: short stacking energy: -127.350
Base-Backbone interact. energy: 1.489
local terms energy: -263.309933
where:
bonds (distance) C4'-P energy: -59.070
bonds (distance) P-C4' energy: -71.666
flat angles C4'-P-C4' energy: -67.137
flat angles P-C4'-P energy: -47.249
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -358.848858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.848858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.848858 (E_RNA)
where:
Base-Base interactions energy: -167.746
where: short stacking energy: -102.664
Base-Backbone interact. energy: 3.345
local terms energy: -194.447317
where:
bonds (distance) C4'-P energy: -52.400
bonds (distance) P-C4' energy: -76.662
flat angles C4'-P-C4' energy: -47.054
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: 2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -303.512027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.512027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.512027 (E_RNA)
where:
Base-Base interactions energy: -87.105
where: short stacking energy: -69.220
Base-Backbone interact. energy: 2.329
local terms energy: -218.736267
where:
bonds (distance) C4'-P energy: -68.630
bonds (distance) P-C4' energy: -71.909
flat angles C4'-P-C4' energy: -49.605
flat angles P-C4'-P energy: -49.432
tors. eta vs tors. theta energy: 20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1357.278166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.278166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.278166 (E_RNA)
where:
Base-Base interactions energy: -921.707
where: short stacking energy: -384.485
Base-Backbone interact. energy: -1.253
local terms energy: -434.318338
where:
bonds (distance) C4'-P energy: -81.936
bonds (distance) P-C4' energy: -82.857
flat angles C4'-P-C4' energy: -89.630
flat angles P-C4'-P energy: -58.886
tors. eta vs tors. theta energy: -121.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1293.023184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.023184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.023184 (E_RNA)
where:
Base-Base interactions energy: -899.366
where: short stacking energy: -361.984
Base-Backbone interact. energy: 0.963
local terms energy: -394.619528
where:
bonds (distance) C4'-P energy: -70.283
bonds (distance) P-C4' energy: -89.936
flat angles C4'-P-C4' energy: -74.190
flat angles P-C4'-P energy: -53.128
tors. eta vs tors. theta energy: -107.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1273.569794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.569794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.569794 (E_RNA)
where:
Base-Base interactions energy: -887.726
where: short stacking energy: -363.928
Base-Backbone interact. energy: -0.596
local terms energy: -385.248036
where:
bonds (distance) C4'-P energy: -69.412
bonds (distance) P-C4' energy: -73.767
flat angles C4'-P-C4' energy: -85.760
flat angles P-C4'-P energy: -50.827
tors. eta vs tors. theta energy: -105.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1169.180899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.180899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.180899 (E_RNA)
where:
Base-Base interactions energy: -798.536
where: short stacking energy: -350.648
Base-Backbone interact. energy: -2.138
local terms energy: -368.506443
where:
bonds (distance) C4'-P energy: -73.282
bonds (distance) P-C4' energy: -78.266
flat angles C4'-P-C4' energy: -78.388
flat angles P-C4'-P energy: -40.874
tors. eta vs tors. theta energy: -97.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -985.564131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.564131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.564131 (E_RNA)
where:
Base-Base interactions energy: -650.892
where: short stacking energy: -244.015
Base-Backbone interact. energy: -4.036
local terms energy: -330.636657
where:
bonds (distance) C4'-P energy: -80.919
bonds (distance) P-C4' energy: -64.667
flat angles C4'-P-C4' energy: -67.519
flat angles P-C4'-P energy: -55.934
tors. eta vs tors. theta energy: -61.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -909.033041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.033041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.033041 (E_RNA)
where:
Base-Base interactions energy: -597.028
where: short stacking energy: -278.470
Base-Backbone interact. energy: -0.264
local terms energy: -311.741215
where:
bonds (distance) C4'-P energy: -64.484
bonds (distance) P-C4' energy: -54.135
flat angles C4'-P-C4' energy: -72.855
flat angles P-C4'-P energy: -45.909
tors. eta vs tors. theta energy: -74.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -558.904381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.904381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.904381 (E_RNA)
where:
Base-Base interactions energy: -315.724
where: short stacking energy: -166.296
Base-Backbone interact. energy: -2.653
local terms energy: -240.526827
where:
bonds (distance) C4'-P energy: -64.424
bonds (distance) P-C4' energy: -73.515
flat angles C4'-P-C4' energy: -67.405
flat angles P-C4'-P energy: -20.680
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -442.613569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.613569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.613569 (E_RNA)
where:
Base-Base interactions energy: -217.207
where: short stacking energy: -136.868
Base-Backbone interact. energy: 3.333
local terms energy: -228.739386
where:
bonds (distance) C4'-P energy: -72.606
bonds (distance) P-C4' energy: -65.685
flat angles C4'-P-C4' energy: -62.716
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -330.035395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.035395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.035395 (E_RNA)
where:
Base-Base interactions energy: -89.888
where: short stacking energy: -86.628
Base-Backbone interact. energy: -0.896
local terms energy: -239.251907
where:
bonds (distance) C4'-P energy: -62.206
bonds (distance) P-C4' energy: -76.107
flat angles C4'-P-C4' energy: -55.998
flat angles P-C4'-P energy: -41.071
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -339.902355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.902355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.902355 (E_RNA)
where:
Base-Base interactions energy: -135.445
where: short stacking energy: -101.667
Base-Backbone interact. energy: 0.377
local terms energy: -204.834608
where:
bonds (distance) C4'-P energy: -65.664
bonds (distance) P-C4' energy: -62.203
flat angles C4'-P-C4' energy: -64.303
flat angles P-C4'-P energy: -29.983
tors. eta vs tors. theta energy: 17.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1355.047575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.047575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.047575 (E_RNA)
where:
Base-Base interactions energy: -931.124
where: short stacking energy: -393.804
Base-Backbone interact. energy: -0.955
local terms energy: -422.969122
where:
bonds (distance) C4'-P energy: -68.123
bonds (distance) P-C4' energy: -84.089
flat angles C4'-P-C4' energy: -85.812
flat angles P-C4'-P energy: -58.334
tors. eta vs tors. theta energy: -126.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1305.172584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.172584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.172584 (E_RNA)
where:
Base-Base interactions energy: -907.732
where: short stacking energy: -356.253
Base-Backbone interact. energy: -2.752
local terms energy: -394.688291
where:
bonds (distance) C4'-P energy: -76.435
bonds (distance) P-C4' energy: -84.934
flat angles C4'-P-C4' energy: -80.366
flat angles P-C4'-P energy: -45.845
tors. eta vs tors. theta energy: -107.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1280.353911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.353911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.353911 (E_RNA)
where:
Base-Base interactions energy: -885.175
where: short stacking energy: -371.990
Base-Backbone interact. energy: 0.606
local terms energy: -395.785600
where:
bonds (distance) C4'-P energy: -82.579
bonds (distance) P-C4' energy: -69.516
flat angles C4'-P-C4' energy: -80.323
flat angles P-C4'-P energy: -56.751
tors. eta vs tors. theta energy: -106.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1174.414925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.414925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.414925 (E_RNA)
where:
Base-Base interactions energy: -784.209
where: short stacking energy: -340.254
Base-Backbone interact. energy: -1.736
local terms energy: -388.469700
where:
bonds (distance) C4'-P energy: -77.786
bonds (distance) P-C4' energy: -69.605
flat angles C4'-P-C4' energy: -90.284
flat angles P-C4'-P energy: -47.050
tors. eta vs tors. theta energy: -103.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -973.361770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.361770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.361770 (E_RNA)
where:
Base-Base interactions energy: -625.373
where: short stacking energy: -267.030
Base-Backbone interact. energy: -1.963
local terms energy: -346.025997
where:
bonds (distance) C4'-P energy: -70.281
bonds (distance) P-C4' energy: -80.374
flat angles C4'-P-C4' energy: -77.400
flat angles P-C4'-P energy: -53.841
tors. eta vs tors. theta energy: -64.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -893.398872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.398872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.398872 (E_RNA)
where:
Base-Base interactions energy: -566.768
where: short stacking energy: -246.505
Base-Backbone interact. energy: -1.160
local terms energy: -325.471096
where:
bonds (distance) C4'-P energy: -77.970
bonds (distance) P-C4' energy: -76.423
flat angles C4'-P-C4' energy: -62.132
flat angles P-C4'-P energy: -39.079
tors. eta vs tors. theta energy: -69.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -540.193067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.193067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.193067 (E_RNA)
where:
Base-Base interactions energy: -289.021
where: short stacking energy: -171.301
Base-Backbone interact. energy: -1.807
local terms energy: -249.365373
where:
bonds (distance) C4'-P energy: -73.241
bonds (distance) P-C4' energy: -55.749
flat angles C4'-P-C4' energy: -56.942
flat angles P-C4'-P energy: -40.053
tors. eta vs tors. theta energy: -23.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -484.940412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.940412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.940412 (E_RNA)
where:
Base-Base interactions energy: -232.208
where: short stacking energy: -126.209
Base-Backbone interact. energy: 0.071
local terms energy: -252.803539
where:
bonds (distance) C4'-P energy: -70.844
bonds (distance) P-C4' energy: -55.532
flat angles C4'-P-C4' energy: -77.332
flat angles P-C4'-P energy: -32.197
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -362.578391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.578391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.578391 (E_RNA)
where:
Base-Base interactions energy: -165.074
where: short stacking energy: -124.851
Base-Backbone interact. energy: -1.342
local terms energy: -196.162528
where:
bonds (distance) C4'-P energy: -68.622
bonds (distance) P-C4' energy: -49.120
flat angles C4'-P-C4' energy: -54.256
flat angles P-C4'-P energy: -22.662
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -320.550572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.550572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.550572 (E_RNA)
where:
Base-Base interactions energy: -116.960
where: short stacking energy: -58.763
Base-Backbone interact. energy: -1.037
local terms energy: -202.552994
where:
bonds (distance) C4'-P energy: -59.295
bonds (distance) P-C4' energy: -65.778
flat angles C4'-P-C4' energy: -57.667
flat angles P-C4'-P energy: -34.354
tors. eta vs tors. theta energy: 14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1355.645421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.645421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.645421 (E_RNA)
where:
Base-Base interactions energy: -926.605
where: short stacking energy: -386.152
Base-Backbone interact. energy: -2.363
local terms energy: -426.677213
where:
bonds (distance) C4'-P energy: -85.420
bonds (distance) P-C4' energy: -70.765
flat angles C4'-P-C4' energy: -90.628
flat angles P-C4'-P energy: -63.723
tors. eta vs tors. theta energy: -116.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1302.678885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.678885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.678885 (E_RNA)
where:
Base-Base interactions energy: -894.543
where: short stacking energy: -365.299
Base-Backbone interact. energy: -4.539
local terms energy: -403.596490
where:
bonds (distance) C4'-P energy: -75.586
bonds (distance) P-C4' energy: -77.244
flat angles C4'-P-C4' energy: -82.331
flat angles P-C4'-P energy: -52.372
tors. eta vs tors. theta energy: -116.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1284.656591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.656591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.656591 (E_RNA)
where:
Base-Base interactions energy: -864.557
where: short stacking energy: -342.961
Base-Backbone interact. energy: 1.445
local terms energy: -421.544197
where:
bonds (distance) C4'-P energy: -83.020
bonds (distance) P-C4' energy: -90.034
flat angles C4'-P-C4' energy: -84.128
flat angles P-C4'-P energy: -52.517
tors. eta vs tors. theta energy: -111.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1182.972193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.972193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.972193 (E_RNA)
where:
Base-Base interactions energy: -788.281
where: short stacking energy: -340.235
Base-Backbone interact. energy: -0.802
local terms energy: -393.888812
where:
bonds (distance) C4'-P energy: -71.981
bonds (distance) P-C4' energy: -84.342
flat angles C4'-P-C4' energy: -81.603
flat angles P-C4'-P energy: -56.936
tors. eta vs tors. theta energy: -99.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -919.614221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.614221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.614221 (E_RNA)
where:
Base-Base interactions energy: -583.396
where: short stacking energy: -257.255
Base-Backbone interact. energy: -1.306
local terms energy: -334.912085
where:
bonds (distance) C4'-P energy: -72.281
bonds (distance) P-C4' energy: -70.969
flat angles C4'-P-C4' energy: -72.322
flat angles P-C4'-P energy: -51.491
tors. eta vs tors. theta energy: -67.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -884.627688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.627688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.627688 (E_RNA)
where:
Base-Base interactions energy: -579.216
where: short stacking energy: -252.620
Base-Backbone interact. energy: -1.946
local terms energy: -303.465954
where:
bonds (distance) C4'-P energy: -61.820
bonds (distance) P-C4' energy: -59.024
flat angles C4'-P-C4' energy: -70.109
flat angles P-C4'-P energy: -38.340
tors. eta vs tors. theta energy: -74.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -528.439510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.439510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.439510 (E_RNA)
where:
Base-Base interactions energy: -286.036
where: short stacking energy: -139.400
Base-Backbone interact. energy: -3.698
local terms energy: -238.705917
where:
bonds (distance) C4'-P energy: -68.137
bonds (distance) P-C4' energy: -61.958
flat angles C4'-P-C4' energy: -68.556
flat angles P-C4'-P energy: -35.515
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -405.502926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.502926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.502926 (E_RNA)
where:
Base-Base interactions energy: -170.188
where: short stacking energy: -105.505
Base-Backbone interact. energy: 1.531
local terms energy: -236.845860
where:
bonds (distance) C4'-P energy: -61.284
bonds (distance) P-C4' energy: -69.414
flat angles C4'-P-C4' energy: -69.068
flat angles P-C4'-P energy: -35.963
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -393.123935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.123935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.123935 (E_RNA)
where:
Base-Base interactions energy: -166.033
where: short stacking energy: -98.347
Base-Backbone interact. energy: 0.773
local terms energy: -227.863924
where:
bonds (distance) C4'-P energy: -58.061
bonds (distance) P-C4' energy: -67.013
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -321.269392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.269392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.269392 (E_RNA)
where:
Base-Base interactions energy: -99.718
where: short stacking energy: -79.514
Base-Backbone interact. energy: -0.695
local terms energy: -220.856419
where:
bonds (distance) C4'-P energy: -68.075
bonds (distance) P-C4' energy: -79.344
flat angles C4'-P-C4' energy: -58.718
flat angles P-C4'-P energy: -35.367
tors. eta vs tors. theta energy: 20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1354.848703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.848703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.848703 (E_RNA)
where:
Base-Base interactions energy: -920.669
where: short stacking energy: -401.589
Base-Backbone interact. energy: -1.327
local terms energy: -432.851820
where:
bonds (distance) C4'-P energy: -72.563
bonds (distance) P-C4' energy: -92.604
flat angles C4'-P-C4' energy: -92.147
flat angles P-C4'-P energy: -56.480
tors. eta vs tors. theta energy: -119.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1301.577224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.577224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.577224 (E_RNA)
where:
Base-Base interactions energy: -893.737
where: short stacking energy: -370.308
Base-Backbone interact. energy: -1.624
local terms energy: -406.216563
where:
bonds (distance) C4'-P energy: -81.281
bonds (distance) P-C4' energy: -68.008
flat angles C4'-P-C4' energy: -88.590
flat angles P-C4'-P energy: -60.107
tors. eta vs tors. theta energy: -108.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1289.307677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.307677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.307677 (E_RNA)
where:
Base-Base interactions energy: -873.354
where: short stacking energy: -361.350
Base-Backbone interact. energy: 0.990
local terms energy: -416.943583
where:
bonds (distance) C4'-P energy: -79.309
bonds (distance) P-C4' energy: -81.898
flat angles C4'-P-C4' energy: -81.697
flat angles P-C4'-P energy: -58.493
tors. eta vs tors. theta energy: -115.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1159.504248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.504248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.504248 (E_RNA)
where:
Base-Base interactions energy: -789.767
where: short stacking energy: -350.471
Base-Backbone interact. energy: -4.347
local terms energy: -365.390424
where:
bonds (distance) C4'-P energy: -69.775
bonds (distance) P-C4' energy: -68.120
flat angles C4'-P-C4' energy: -80.986
flat angles P-C4'-P energy: -51.352
tors. eta vs tors. theta energy: -95.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -910.638300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.638300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.638300 (E_RNA)
where:
Base-Base interactions energy: -558.636
where: short stacking energy: -246.143
Base-Backbone interact. energy: -2.126
local terms energy: -349.876190
where:
bonds (distance) C4'-P energy: -73.724
bonds (distance) P-C4' energy: -76.991
flat angles C4'-P-C4' energy: -88.125
flat angles P-C4'-P energy: -50.218
tors. eta vs tors. theta energy: -60.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -838.051330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.051330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.051330 (E_RNA)
where:
Base-Base interactions energy: -516.756
where: short stacking energy: -220.633
Base-Backbone interact. energy: 2.250
local terms energy: -323.545961
where:
bonds (distance) C4'-P energy: -70.763
bonds (distance) P-C4' energy: -74.062
flat angles C4'-P-C4' energy: -69.613
flat angles P-C4'-P energy: -48.364
tors. eta vs tors. theta energy: -60.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -610.710513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.710513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.710513 (E_RNA)
where:
Base-Base interactions energy: -343.004
where: short stacking energy: -183.668
Base-Backbone interact. energy: 4.025
local terms energy: -271.731460
where:
bonds (distance) C4'-P energy: -64.809
bonds (distance) P-C4' energy: -67.052
flat angles C4'-P-C4' energy: -77.715
flat angles P-C4'-P energy: -36.190
tors. eta vs tors. theta energy: -25.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -422.343744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.343744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.343744 (E_RNA)
where:
Base-Base interactions energy: -170.732
where: short stacking energy: -124.001
Base-Backbone interact. energy: -0.025
local terms energy: -251.587159
where:
bonds (distance) C4'-P energy: -85.188
bonds (distance) P-C4' energy: -77.140
flat angles C4'-P-C4' energy: -45.588
flat angles P-C4'-P energy: -29.883
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -364.650333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.650333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.650333 (E_RNA)
where:
Base-Base interactions energy: -159.275
where: short stacking energy: -97.795
Base-Backbone interact. energy: -0.894
local terms energy: -204.481423
where:
bonds (distance) C4'-P energy: -62.340
bonds (distance) P-C4' energy: -70.674
flat angles C4'-P-C4' energy: -49.852
flat angles P-C4'-P energy: -37.700
tors. eta vs tors. theta energy: 16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -350.179391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.179391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.179391 (E_RNA)
where:
Base-Base interactions energy: -145.690
where: short stacking energy: -97.732
Base-Backbone interact. energy: 4.301
local terms energy: -208.790601
where:
bonds (distance) C4'-P energy: -65.342
bonds (distance) P-C4' energy: -53.011
flat angles C4'-P-C4' energy: -66.695
flat angles P-C4'-P energy: -33.058
tors. eta vs tors. theta energy: 9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1340.402517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.402517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.402517 (E_RNA)
where:
Base-Base interactions energy: -908.095
where: short stacking energy: -384.177
Base-Backbone interact. energy: -1.550
local terms energy: -430.757123
where:
bonds (distance) C4'-P energy: -71.465
bonds (distance) P-C4' energy: -90.159
flat angles C4'-P-C4' energy: -92.239
flat angles P-C4'-P energy: -60.018
tors. eta vs tors. theta energy: -116.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1306.893133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.893133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.893133 (E_RNA)
where:
Base-Base interactions energy: -906.197
where: short stacking energy: -372.887
Base-Backbone interact. energy: -2.676
local terms energy: -398.020535
where:
bonds (distance) C4'-P energy: -72.424
bonds (distance) P-C4' energy: -81.131
flat angles C4'-P-C4' energy: -83.885
flat angles P-C4'-P energy: -53.271
tors. eta vs tors. theta energy: -107.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1254.267707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.267707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.267707 (E_RNA)
where:
Base-Base interactions energy: -850.053
where: short stacking energy: -337.407
Base-Backbone interact. energy: -0.369
local terms energy: -403.845267
where:
bonds (distance) C4'-P energy: -80.291
bonds (distance) P-C4' energy: -72.458
flat angles C4'-P-C4' energy: -74.219
flat angles P-C4'-P energy: -68.843
tors. eta vs tors. theta energy: -108.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1157.569871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.569871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.569871 (E_RNA)
where:
Base-Base interactions energy: -765.099
where: short stacking energy: -325.738
Base-Backbone interact. energy: 0.951
local terms energy: -393.421506
where:
bonds (distance) C4'-P energy: -74.532
bonds (distance) P-C4' energy: -77.616
flat angles C4'-P-C4' energy: -87.097
flat angles P-C4'-P energy: -50.287
tors. eta vs tors. theta energy: -103.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -888.816633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.816633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.816633 (E_RNA)
where:
Base-Base interactions energy: -559.858
where: short stacking energy: -250.533
Base-Backbone interact. energy: 1.796
local terms energy: -330.755379
where:
bonds (distance) C4'-P energy: -68.762
bonds (distance) P-C4' energy: -73.545
flat angles C4'-P-C4' energy: -68.371
flat angles P-C4'-P energy: -55.549
tors. eta vs tors. theta energy: -64.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -846.916765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.916765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.916765 (E_RNA)
where:
Base-Base interactions energy: -503.362
where: short stacking energy: -235.236
Base-Backbone interact. energy: -0.188
local terms energy: -343.367034
where:
bonds (distance) C4'-P energy: -76.653
bonds (distance) P-C4' energy: -75.563
flat angles C4'-P-C4' energy: -80.806
flat angles P-C4'-P energy: -52.124
tors. eta vs tors. theta energy: -58.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -601.414291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.414291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.414291 (E_RNA)
where:
Base-Base interactions energy: -343.944
where: short stacking energy: -193.807
Base-Backbone interact. energy: 0.030
local terms energy: -257.499837
where:
bonds (distance) C4'-P energy: -66.228
bonds (distance) P-C4' energy: -61.311
flat angles C4'-P-C4' energy: -67.526
flat angles P-C4'-P energy: -41.529
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -367.540420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.540420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.540420 (E_RNA)
where:
Base-Base interactions energy: -140.176
where: short stacking energy: -98.501
Base-Backbone interact. energy: -1.783
local terms energy: -225.581727
where:
bonds (distance) C4'-P energy: -80.727
bonds (distance) P-C4' energy: -64.340
flat angles C4'-P-C4' energy: -50.886
flat angles P-C4'-P energy: -37.719
tors. eta vs tors. theta energy: 8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -342.690095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.690095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.690095 (E_RNA)
where:
Base-Base interactions energy: -115.791
where: short stacking energy: -97.709
Base-Backbone interact. energy: -1.110
local terms energy: -225.789088
where:
bonds (distance) C4'-P energy: -52.889
bonds (distance) P-C4' energy: -80.813
flat angles C4'-P-C4' energy: -67.353
flat angles P-C4'-P energy: -30.286
tors. eta vs tors. theta energy: 5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -329.525429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.525429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.525429 (E_RNA)
where:
Base-Base interactions energy: -134.781
where: short stacking energy: -92.512
Base-Backbone interact. energy: 1.253
local terms energy: -195.998028
where:
bonds (distance) C4'-P energy: -67.834
bonds (distance) P-C4' energy: -65.110
flat angles C4'-P-C4' energy: -42.807
flat angles P-C4'-P energy: -27.517
tors. eta vs tors. theta energy: 7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1348.732953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.732953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.732953 (E_RNA)
where:
Base-Base interactions energy: -927.668
where: short stacking energy: -381.074
Base-Backbone interact. energy: -1.638
local terms energy: -419.426608
where:
bonds (distance) C4'-P energy: -80.254
bonds (distance) P-C4' energy: -85.844
flat angles C4'-P-C4' energy: -86.337
flat angles P-C4'-P energy: -50.585
tors. eta vs tors. theta energy: -116.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1329.105276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.105276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.105276 (E_RNA)
where:
Base-Base interactions energy: -927.355
where: short stacking energy: -360.322
Base-Backbone interact. energy: -2.307
local terms energy: -399.444105
where:
bonds (distance) C4'-P energy: -74.070
bonds (distance) P-C4' energy: -76.369
flat angles C4'-P-C4' energy: -89.751
flat angles P-C4'-P energy: -50.380
tors. eta vs tors. theta energy: -108.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1263.143375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.143375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.143375 (E_RNA)
where:
Base-Base interactions energy: -859.440
where: short stacking energy: -366.263
Base-Backbone interact. energy: -2.855
local terms energy: -400.847853
where:
bonds (distance) C4'-P energy: -63.980
bonds (distance) P-C4' energy: -68.453
flat angles C4'-P-C4' energy: -97.877
flat angles P-C4'-P energy: -52.251
tors. eta vs tors. theta energy: -118.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1174.108314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.108314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.108314 (E_RNA)
where:
Base-Base interactions energy: -790.127
where: short stacking energy: -336.688
Base-Backbone interact. energy: -2.321
local terms energy: -381.660154
where:
bonds (distance) C4'-P energy: -74.494
bonds (distance) P-C4' energy: -64.552
flat angles C4'-P-C4' energy: -83.359
flat angles P-C4'-P energy: -57.280
tors. eta vs tors. theta energy: -101.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -899.745972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.745972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.745972 (E_RNA)
where:
Base-Base interactions energy: -570.337
where: short stacking energy: -250.391
Base-Backbone interact. energy: 2.742
local terms energy: -332.150384
where:
bonds (distance) C4'-P energy: -77.747
bonds (distance) P-C4' energy: -61.400
flat angles C4'-P-C4' energy: -77.075
flat angles P-C4'-P energy: -49.556
tors. eta vs tors. theta energy: -66.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -749.961633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.961633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.961633 (E_RNA)
where:
Base-Base interactions energy: -448.268
where: short stacking energy: -214.281
Base-Backbone interact. energy: -1.348
local terms energy: -300.346179
where:
bonds (distance) C4'-P energy: -66.314
bonds (distance) P-C4' energy: -76.336
flat angles C4'-P-C4' energy: -69.920
flat angles P-C4'-P energy: -40.669
tors. eta vs tors. theta energy: -47.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -569.119418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.119418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.119418 (E_RNA)
where:
Base-Base interactions energy: -314.482
where: short stacking energy: -161.835
Base-Backbone interact. energy: -0.917
local terms energy: -253.720374
where:
bonds (distance) C4'-P energy: -50.586
bonds (distance) P-C4' energy: -69.637
flat angles C4'-P-C4' energy: -64.519
flat angles P-C4'-P energy: -46.217
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -357.047895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.047895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.047895 (E_RNA)
where:
Base-Base interactions energy: -122.971
where: short stacking energy: -98.408
Base-Backbone interact. energy: 6.000
local terms energy: -240.076645
where:
bonds (distance) C4'-P energy: -72.736
bonds (distance) P-C4' energy: -86.064
flat angles C4'-P-C4' energy: -49.014
flat angles P-C4'-P energy: -46.019
tors. eta vs tors. theta energy: 13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -359.647120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.647120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.647120 (E_RNA)
where:
Base-Base interactions energy: -125.370
where: short stacking energy: -115.540
Base-Backbone interact. energy: -1.328
local terms energy: -232.949238
where:
bonds (distance) C4'-P energy: -63.115
bonds (distance) P-C4' energy: -70.489
flat angles C4'-P-C4' energy: -54.948
flat angles P-C4'-P energy: -42.014
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -312.668428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.668428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.668428 (E_RNA)
where:
Base-Base interactions energy: -127.873
where: short stacking energy: -101.454
Base-Backbone interact. energy: 5.350
local terms energy: -190.144743
where:
bonds (distance) C4'-P energy: -61.812
bonds (distance) P-C4' energy: -60.637
flat angles C4'-P-C4' energy: -49.044
flat angles P-C4'-P energy: -26.685
tors. eta vs tors. theta energy: 8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1349.394476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.394476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.394476 (E_RNA)
where:
Base-Base interactions energy: -954.713
where: short stacking energy: -419.478
Base-Backbone interact. energy: -0.078
local terms energy: -394.603929
where:
bonds (distance) C4'-P energy: -56.080
bonds (distance) P-C4' energy: -82.537
flat angles C4'-P-C4' energy: -82.556
flat angles P-C4'-P energy: -59.500
tors. eta vs tors. theta energy: -113.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1322.927197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.927197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.927197 (E_RNA)
where:
Base-Base interactions energy: -925.071
where: short stacking energy: -358.557
Base-Backbone interact. energy: -2.135
local terms energy: -395.721105
where:
bonds (distance) C4'-P energy: -72.031
bonds (distance) P-C4' energy: -84.079
flat angles C4'-P-C4' energy: -89.951
flat angles P-C4'-P energy: -46.265
tors. eta vs tors. theta energy: -103.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1212.216402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.216402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.216402 (E_RNA)
where:
Base-Base interactions energy: -800.053
where: short stacking energy: -342.593
Base-Backbone interact. energy: 1.429
local terms energy: -413.592040
where:
bonds (distance) C4'-P energy: -78.448
bonds (distance) P-C4' energy: -83.344
flat angles C4'-P-C4' energy: -87.530
flat angles P-C4'-P energy: -55.795
tors. eta vs tors. theta energy: -108.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1187.411985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.411985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.411985 (E_RNA)
where:
Base-Base interactions energy: -806.105
where: short stacking energy: -353.133
Base-Backbone interact. energy: 0.031
local terms energy: -381.338045
where:
bonds (distance) C4'-P energy: -72.935
bonds (distance) P-C4' energy: -72.008
flat angles C4'-P-C4' energy: -79.305
flat angles P-C4'-P energy: -55.508
tors. eta vs tors. theta energy: -101.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -915.372612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.372612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.372612 (E_RNA)
where:
Base-Base interactions energy: -606.211
where: short stacking energy: -246.351
Base-Backbone interact. energy: -0.452
local terms energy: -308.709509
where:
bonds (distance) C4'-P energy: -73.145
bonds (distance) P-C4' energy: -68.600
flat angles C4'-P-C4' energy: -64.087
flat angles P-C4'-P energy: -50.843
tors. eta vs tors. theta energy: -52.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -785.679332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.679332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.679332 (E_RNA)
where:
Base-Base interactions energy: -468.650
where: short stacking energy: -213.131
Base-Backbone interact. energy: 0.283
local terms energy: -317.312723
where:
bonds (distance) C4'-P energy: -76.127
bonds (distance) P-C4' energy: -69.080
flat angles C4'-P-C4' energy: -75.778
flat angles P-C4'-P energy: -42.922
tors. eta vs tors. theta energy: -53.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -579.492947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.492947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.492947 (E_RNA)
where:
Base-Base interactions energy: -328.610
where: short stacking energy: -174.945
Base-Backbone interact. energy: -1.282
local terms energy: -249.600852
where:
bonds (distance) C4'-P energy: -58.857
bonds (distance) P-C4' energy: -70.187
flat angles C4'-P-C4' energy: -61.851
flat angles P-C4'-P energy: -38.430
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -386.019431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.019431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.019431 (E_RNA)
where:
Base-Base interactions energy: -141.294
where: short stacking energy: -128.492
Base-Backbone interact. energy: 4.089
local terms energy: -248.814110
where:
bonds (distance) C4'-P energy: -80.761
bonds (distance) P-C4' energy: -64.948
flat angles C4'-P-C4' energy: -64.333
flat angles P-C4'-P energy: -31.293
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -355.739455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.739455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.739455 (E_RNA)
where:
Base-Base interactions energy: -141.445
where: short stacking energy: -104.577
Base-Backbone interact. energy: -1.364
local terms energy: -212.930907
where:
bonds (distance) C4'-P energy: -60.875
bonds (distance) P-C4' energy: -72.597
flat angles C4'-P-C4' energy: -61.992
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: 8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -314.038402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.038402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.038402 (E_RNA)
where:
Base-Base interactions energy: -105.702
where: short stacking energy: -78.502
Base-Backbone interact. energy: 2.843
local terms energy: -211.178893
where:
bonds (distance) C4'-P energy: -50.429
bonds (distance) P-C4' energy: -71.507
flat angles C4'-P-C4' energy: -62.623
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: 12.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1378.852354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.852354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.852354 (E_RNA)
where:
Base-Base interactions energy: -954.423
where: short stacking energy: -413.879
Base-Backbone interact. energy: 1.786
local terms energy: -426.215372
where:
bonds (distance) C4'-P energy: -79.045
bonds (distance) P-C4' energy: -80.120
flat angles C4'-P-C4' energy: -85.605
flat angles P-C4'-P energy: -58.996
tors. eta vs tors. theta energy: -122.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1312.488814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.488814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.488814 (E_RNA)
where:
Base-Base interactions energy: -903.961
where: short stacking energy: -363.410
Base-Backbone interact. energy: -1.319
local terms energy: -407.209245
where:
bonds (distance) C4'-P energy: -73.528
bonds (distance) P-C4' energy: -79.661
flat angles C4'-P-C4' energy: -84.364
flat angles P-C4'-P energy: -63.808
tors. eta vs tors. theta energy: -105.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1197.508736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.508736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.508736 (E_RNA)
where:
Base-Base interactions energy: -804.227
where: short stacking energy: -342.136
Base-Backbone interact. energy: -1.808
local terms energy: -391.473504
where:
bonds (distance) C4'-P energy: -80.173
bonds (distance) P-C4' energy: -77.659
flat angles C4'-P-C4' energy: -79.790
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -106.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1198.040861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.040861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.040861 (E_RNA)
where:
Base-Base interactions energy: -814.668
where: short stacking energy: -344.114
Base-Backbone interact. energy: -1.093
local terms energy: -382.279755
where:
bonds (distance) C4'-P energy: -68.495
bonds (distance) P-C4' energy: -76.326
flat angles C4'-P-C4' energy: -80.438
flat angles P-C4'-P energy: -64.057
tors. eta vs tors. theta energy: -92.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -916.655447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.655447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.655447 (E_RNA)
where:
Base-Base interactions energy: -583.645
where: short stacking energy: -259.356
Base-Backbone interact. energy: -3.974
local terms energy: -329.036582
where:
bonds (distance) C4'-P energy: -70.432
bonds (distance) P-C4' energy: -66.304
flat angles C4'-P-C4' energy: -77.898
flat angles P-C4'-P energy: -48.711
tors. eta vs tors. theta energy: -65.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -786.394279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.394279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.394279 (E_RNA)
where:
Base-Base interactions energy: -468.613
where: short stacking energy: -235.894
Base-Backbone interact. energy: -0.955
local terms energy: -316.826292
where:
bonds (distance) C4'-P energy: -78.044
bonds (distance) P-C4' energy: -70.168
flat angles C4'-P-C4' energy: -63.368
flat angles P-C4'-P energy: -46.089
tors. eta vs tors. theta energy: -59.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -599.817247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.817247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.817247 (E_RNA)
where:
Base-Base interactions energy: -306.967
where: short stacking energy: -161.155
Base-Backbone interact. energy: 3.758
local terms energy: -296.608731
where:
bonds (distance) C4'-P energy: -75.112
bonds (distance) P-C4' energy: -72.428
flat angles C4'-P-C4' energy: -66.245
flat angles P-C4'-P energy: -57.191
tors. eta vs tors. theta energy: -25.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -374.819711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.819711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.819711 (E_RNA)
where:
Base-Base interactions energy: -171.210
where: short stacking energy: -101.921
Base-Backbone interact. energy: 3.553
local terms energy: -207.163105
where:
bonds (distance) C4'-P energy: -57.236
bonds (distance) P-C4' energy: -67.181
flat angles C4'-P-C4' energy: -53.896
flat angles P-C4'-P energy: -37.517
tors. eta vs tors. theta energy: 8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -353.655062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.655062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.655062 (E_RNA)
where:
Base-Base interactions energy: -130.695
where: short stacking energy: -106.602
Base-Backbone interact. energy: -2.408
local terms energy: -220.552149
where:
bonds (distance) C4'-P energy: -75.998
bonds (distance) P-C4' energy: -64.373
flat angles C4'-P-C4' energy: -56.353
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: 2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -302.535805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.535805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.535805 (E_RNA)
where:
Base-Base interactions energy: -97.711
where: short stacking energy: -84.912
Base-Backbone interact. energy: -0.417
local terms energy: -204.407274
where:
bonds (distance) C4'-P energy: -57.480
bonds (distance) P-C4' energy: -75.733
flat angles C4'-P-C4' energy: -49.057
flat angles P-C4'-P energy: -34.006
tors. eta vs tors. theta energy: 11.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1376.087587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.087587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.087587 (E_RNA)
where:
Base-Base interactions energy: -929.527
where: short stacking energy: -414.373
Base-Backbone interact. energy: 1.077
local terms energy: -447.638030
where:
bonds (distance) C4'-P energy: -78.728
bonds (distance) P-C4' energy: -89.059
flat angles C4'-P-C4' energy: -95.007
flat angles P-C4'-P energy: -66.708
tors. eta vs tors. theta energy: -118.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1315.729977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.729977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.729977 (E_RNA)
where:
Base-Base interactions energy: -911.641
where: short stacking energy: -358.690
Base-Backbone interact. energy: 2.229
local terms energy: -406.317225
where:
bonds (distance) C4'-P energy: -86.611
bonds (distance) P-C4' energy: -79.572
flat angles C4'-P-C4' energy: -85.777
flat angles P-C4'-P energy: -48.772
tors. eta vs tors. theta energy: -105.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1194.391656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.391656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.391656 (E_RNA)
where:
Base-Base interactions energy: -800.841
where: short stacking energy: -349.439
Base-Backbone interact. energy: 1.877
local terms energy: -395.427896
where:
bonds (distance) C4'-P energy: -77.393
bonds (distance) P-C4' energy: -72.010
flat angles C4'-P-C4' energy: -81.163
flat angles P-C4'-P energy: -50.441
tors. eta vs tors. theta energy: -114.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1191.046749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.046749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.046749 (E_RNA)
where:
Base-Base interactions energy: -797.052
where: short stacking energy: -347.915
Base-Backbone interact. energy: -1.886
local terms energy: -392.108747
where:
bonds (distance) C4'-P energy: -71.205
bonds (distance) P-C4' energy: -81.460
flat angles C4'-P-C4' energy: -81.469
flat angles P-C4'-P energy: -59.103
tors. eta vs tors. theta energy: -98.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -991.189943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.189943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.189943 (E_RNA)
where:
Base-Base interactions energy: -638.375
where: short stacking energy: -286.908
Base-Backbone interact. energy: -1.435
local terms energy: -351.380184
where:
bonds (distance) C4'-P energy: -77.494
bonds (distance) P-C4' energy: -71.011
flat angles C4'-P-C4' energy: -78.100
flat angles P-C4'-P energy: -52.869
tors. eta vs tors. theta energy: -71.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -827.366349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.366349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.366349 (E_RNA)
where:
Base-Base interactions energy: -503.614
where: short stacking energy: -260.906
Base-Backbone interact. energy: 2.214
local terms energy: -325.965964
where:
bonds (distance) C4'-P energy: -72.957
bonds (distance) P-C4' energy: -83.042
flat angles C4'-P-C4' energy: -78.065
flat angles P-C4'-P energy: -40.201
tors. eta vs tors. theta energy: -51.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -591.832315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.832315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.832315 (E_RNA)
where:
Base-Base interactions energy: -334.136
where: short stacking energy: -167.286
Base-Backbone interact. energy: 0.598
local terms energy: -258.294747
where:
bonds (distance) C4'-P energy: -62.718
bonds (distance) P-C4' energy: -71.601
flat angles C4'-P-C4' energy: -71.533
flat angles P-C4'-P energy: -25.316
tors. eta vs tors. theta energy: -27.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -379.438307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.438307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.438307 (E_RNA)
where:
Base-Base interactions energy: -137.715
where: short stacking energy: -106.575
Base-Backbone interact. energy: 0.720
local terms energy: -242.442735
where:
bonds (distance) C4'-P energy: -77.324
bonds (distance) P-C4' energy: -80.474
flat angles C4'-P-C4' energy: -62.471
flat angles P-C4'-P energy: -35.607
tors. eta vs tors. theta energy: 13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -378.055264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.055264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.055264 (E_RNA)
where:
Base-Base interactions energy: -138.646
where: short stacking energy: -108.485
Base-Backbone interact. energy: -0.959
local terms energy: -238.449887
where:
bonds (distance) C4'-P energy: -70.727
bonds (distance) P-C4' energy: -79.074
flat angles C4'-P-C4' energy: -50.791
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -321.838620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.838620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.838620 (E_RNA)
where:
Base-Base interactions energy: -131.457
where: short stacking energy: -95.265
Base-Backbone interact. energy: 0.016
local terms energy: -190.397498
where:
bonds (distance) C4'-P energy: -46.595
bonds (distance) P-C4' energy: -66.921
flat angles C4'-P-C4' energy: -52.619
flat angles P-C4'-P energy: -26.106
tors. eta vs tors. theta energy: 1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1361.068736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.068736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.068736 (E_RNA)
where:
Base-Base interactions energy: -924.351
where: short stacking energy: -398.237
Base-Backbone interact. energy: -0.191
local terms energy: -436.526292
where:
bonds (distance) C4'-P energy: -80.390
bonds (distance) P-C4' energy: -85.228
flat angles C4'-P-C4' energy: -97.730
flat angles P-C4'-P energy: -60.801
tors. eta vs tors. theta energy: -112.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1289.387031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.387031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.387031 (E_RNA)
where:
Base-Base interactions energy: -906.990
where: short stacking energy: -348.625
Base-Backbone interact. energy: -0.199
local terms energy: -382.197138
where:
bonds (distance) C4'-P energy: -69.712
bonds (distance) P-C4' energy: -77.691
flat angles C4'-P-C4' energy: -79.743
flat angles P-C4'-P energy: -54.883
tors. eta vs tors. theta energy: -100.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1224.020975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.020975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.020975 (E_RNA)
where:
Base-Base interactions energy: -828.723
where: short stacking energy: -351.164
Base-Backbone interact. energy: -1.005
local terms energy: -394.292449
where:
bonds (distance) C4'-P energy: -78.178
bonds (distance) P-C4' energy: -66.712
flat angles C4'-P-C4' energy: -83.881
flat angles P-C4'-P energy: -58.633
tors. eta vs tors. theta energy: -106.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1176.047053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.047053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.047053 (E_RNA)
where:
Base-Base interactions energy: -784.915
where: short stacking energy: -342.587
Base-Backbone interact. energy: -3.906
local terms energy: -387.226749
where:
bonds (distance) C4'-P energy: -70.763
bonds (distance) P-C4' energy: -71.171
flat angles C4'-P-C4' energy: -83.925
flat angles P-C4'-P energy: -54.285
tors. eta vs tors. theta energy: -107.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -927.772479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.772479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.772479 (E_RNA)
where:
Base-Base interactions energy: -606.353
where: short stacking energy: -281.131
Base-Backbone interact. energy: -1.308
local terms energy: -320.110885
where:
bonds (distance) C4'-P energy: -70.468
bonds (distance) P-C4' energy: -67.594
flat angles C4'-P-C4' energy: -62.819
flat angles P-C4'-P energy: -47.977
tors. eta vs tors. theta energy: -71.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -868.794769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.794769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.794769 (E_RNA)
where:
Base-Base interactions energy: -537.575
where: short stacking energy: -247.631
Base-Backbone interact. energy: -1.861
local terms energy: -329.358821
where:
bonds (distance) C4'-P energy: -64.539
bonds (distance) P-C4' energy: -77.273
flat angles C4'-P-C4' energy: -71.017
flat angles P-C4'-P energy: -54.337
tors. eta vs tors. theta energy: -62.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -605.750659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.750659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.750659 (E_RNA)
where:
Base-Base interactions energy: -320.500
where: short stacking energy: -164.587
Base-Backbone interact. energy: 0.030
local terms energy: -285.280335
where:
bonds (distance) C4'-P energy: -62.448
bonds (distance) P-C4' energy: -66.715
flat angles C4'-P-C4' energy: -79.425
flat angles P-C4'-P energy: -47.678
tors. eta vs tors. theta energy: -29.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -401.925536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.925536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.925536 (E_RNA)
where:
Base-Base interactions energy: -178.451
where: short stacking energy: -126.565
Base-Backbone interact. energy: -0.008
local terms energy: -223.466050
where:
bonds (distance) C4'-P energy: -54.231
bonds (distance) P-C4' energy: -75.652
flat angles C4'-P-C4' energy: -43.644
flat angles P-C4'-P energy: -47.086
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -368.030201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.030201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.030201 (E_RNA)
where:
Base-Base interactions energy: -146.038
where: short stacking energy: -95.163
Base-Backbone interact. energy: -2.192
local terms energy: -219.800509
where:
bonds (distance) C4'-P energy: -61.782
bonds (distance) P-C4' energy: -70.478
flat angles C4'-P-C4' energy: -63.365
flat angles P-C4'-P energy: -24.024
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -342.041970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.041970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.041970 (E_RNA)
where:
Base-Base interactions energy: -114.514
where: short stacking energy: -94.101
Base-Backbone interact. energy: 0.773
local terms energy: -228.300430
where:
bonds (distance) C4'-P energy: -72.964
bonds (distance) P-C4' energy: -58.459
flat angles C4'-P-C4' energy: -64.110
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1365.221370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.221370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.221370 (E_RNA)
where:
Base-Base interactions energy: -919.580
where: short stacking energy: -387.207
Base-Backbone interact. energy: -0.807
local terms energy: -444.834292
where:
bonds (distance) C4'-P energy: -79.732
bonds (distance) P-C4' energy: -78.099
flat angles C4'-P-C4' energy: -94.156
flat angles P-C4'-P energy: -69.617
tors. eta vs tors. theta energy: -123.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1292.055655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.055655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.055655 (E_RNA)
where:
Base-Base interactions energy: -887.880
where: short stacking energy: -376.681
Base-Backbone interact. energy: 1.294
local terms energy: -405.469983
where:
bonds (distance) C4'-P energy: -69.721
bonds (distance) P-C4' energy: -89.062
flat angles C4'-P-C4' energy: -89.582
flat angles P-C4'-P energy: -51.172
tors. eta vs tors. theta energy: -105.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1240.371556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.371556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.371556 (E_RNA)
where:
Base-Base interactions energy: -839.592
where: short stacking energy: -344.010
Base-Backbone interact. energy: -0.346
local terms energy: -400.433651
where:
bonds (distance) C4'-P energy: -82.357
bonds (distance) P-C4' energy: -67.195
flat angles C4'-P-C4' energy: -88.645
flat angles P-C4'-P energy: -55.295
tors. eta vs tors. theta energy: -106.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1187.749284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.749284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.749284 (E_RNA)
where:
Base-Base interactions energy: -808.370
where: short stacking energy: -339.888
Base-Backbone interact. energy: -1.041
local terms energy: -378.337626
where:
bonds (distance) C4'-P energy: -59.592
bonds (distance) P-C4' energy: -84.122
flat angles C4'-P-C4' energy: -85.721
flat angles P-C4'-P energy: -52.644
tors. eta vs tors. theta energy: -96.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -940.925479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.925479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.925479 (E_RNA)
where:
Base-Base interactions energy: -594.218
where: short stacking energy: -265.359
Base-Backbone interact. energy: -1.920
local terms energy: -344.786840
where:
bonds (distance) C4'-P energy: -71.259
bonds (distance) P-C4' energy: -81.879
flat angles C4'-P-C4' energy: -77.336
flat angles P-C4'-P energy: -49.918
tors. eta vs tors. theta energy: -64.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -924.469298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.469298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.469298 (E_RNA)
where:
Base-Base interactions energy: -605.072
where: short stacking energy: -261.790
Base-Backbone interact. energy: -1.792
local terms energy: -317.605279
where:
bonds (distance) C4'-P energy: -67.439
bonds (distance) P-C4' energy: -70.348
flat angles C4'-P-C4' energy: -72.830
flat angles P-C4'-P energy: -45.063
tors. eta vs tors. theta energy: -61.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -553.115516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.115516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.115516 (E_RNA)
where:
Base-Base interactions energy: -259.780
where: short stacking energy: -142.388
Base-Backbone interact. energy: 0.474
local terms energy: -293.809985
where:
bonds (distance) C4'-P energy: -66.517
bonds (distance) P-C4' energy: -78.559
flat angles C4'-P-C4' energy: -78.311
flat angles P-C4'-P energy: -46.862
tors. eta vs tors. theta energy: -23.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -377.890976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.890976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.890976 (E_RNA)
where:
Base-Base interactions energy: -146.435
where: short stacking energy: -108.758
Base-Backbone interact. energy: -1.326
local terms energy: -230.130078
where:
bonds (distance) C4'-P energy: -59.783
bonds (distance) P-C4' energy: -75.278
flat angles C4'-P-C4' energy: -78.276
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: 6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -335.783348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.783348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.783348 (E_RNA)
where:
Base-Base interactions energy: -129.226
where: short stacking energy: -105.129
Base-Backbone interact. energy: 0.969
local terms energy: -207.525780
where:
bonds (distance) C4'-P energy: -61.654
bonds (distance) P-C4' energy: -60.403
flat angles C4'-P-C4' energy: -73.091
flat angles P-C4'-P energy: -25.304
tors. eta vs tors. theta energy: 12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -330.704581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.704581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.704581 (E_RNA)
where:
Base-Base interactions energy: -124.838
where: short stacking energy: -65.754
Base-Backbone interact. energy: -0.703
local terms energy: -205.163608
where:
bonds (distance) C4'-P energy: -56.218
bonds (distance) P-C4' energy: -75.681
flat angles C4'-P-C4' energy: -55.086
flat angles P-C4'-P energy: -35.325
tors. eta vs tors. theta energy: 17.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1374.168374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.168374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.168374 (E_RNA)
where:
Base-Base interactions energy: -938.697
where: short stacking energy: -401.069
Base-Backbone interact. energy: -0.215
local terms energy: -435.257204
where:
bonds (distance) C4'-P energy: -77.803
bonds (distance) P-C4' energy: -86.591
flat angles C4'-P-C4' energy: -87.683
flat angles P-C4'-P energy: -60.551
tors. eta vs tors. theta energy: -122.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1295.710455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.710455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.710455 (E_RNA)
where:
Base-Base interactions energy: -903.860
where: short stacking energy: -357.521
Base-Backbone interact. energy: -0.341
local terms energy: -391.510122
where:
bonds (distance) C4'-P energy: -70.815
bonds (distance) P-C4' energy: -82.257
flat angles C4'-P-C4' energy: -89.029
flat angles P-C4'-P energy: -51.205
tors. eta vs tors. theta energy: -98.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1235.484206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.484206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.484206 (E_RNA)
where:
Base-Base interactions energy: -831.913
where: short stacking energy: -356.292
Base-Backbone interact. energy: -3.667
local terms energy: -399.904575
where:
bonds (distance) C4'-P energy: -72.426
bonds (distance) P-C4' energy: -79.070
flat angles C4'-P-C4' energy: -92.565
flat angles P-C4'-P energy: -48.794
tors. eta vs tors. theta energy: -107.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1177.596234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.596234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.596234 (E_RNA)
where:
Base-Base interactions energy: -790.325
where: short stacking energy: -334.733
Base-Backbone interact. energy: -1.960
local terms energy: -385.311303
where:
bonds (distance) C4'-P energy: -69.518
bonds (distance) P-C4' energy: -74.759
flat angles C4'-P-C4' energy: -83.378
flat angles P-C4'-P energy: -51.825
tors. eta vs tors. theta energy: -105.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -952.284736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.284736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.284736 (E_RNA)
where:
Base-Base interactions energy: -585.970
where: short stacking energy: -264.079
Base-Backbone interact. energy: -1.643
local terms energy: -364.672376
where:
bonds (distance) C4'-P energy: -76.794
bonds (distance) P-C4' energy: -80.048
flat angles C4'-P-C4' energy: -82.476
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -74.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -929.160514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.160514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.160514 (E_RNA)
where:
Base-Base interactions energy: -594.812
where: short stacking energy: -263.179
Base-Backbone interact. energy: -1.977
local terms energy: -332.371281
where:
bonds (distance) C4'-P energy: -76.154
bonds (distance) P-C4' energy: -59.707
flat angles C4'-P-C4' energy: -80.098
flat angles P-C4'-P energy: -54.157
tors. eta vs tors. theta energy: -62.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -559.619467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.619467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.619467 (E_RNA)
where:
Base-Base interactions energy: -307.195
where: short stacking energy: -182.173
Base-Backbone interact. energy: -1.417
local terms energy: -251.006966
where:
bonds (distance) C4'-P energy: -49.792
bonds (distance) P-C4' energy: -74.778
flat angles C4'-P-C4' energy: -59.722
flat angles P-C4'-P energy: -41.835
tors. eta vs tors. theta energy: -24.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -365.736015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.736015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.736015 (E_RNA)
where:
Base-Base interactions energy: -147.739
where: short stacking energy: -97.472
Base-Backbone interact. energy: -1.975
local terms energy: -216.021964
where:
bonds (distance) C4'-P energy: -64.887
bonds (distance) P-C4' energy: -67.361
flat angles C4'-P-C4' energy: -58.422
flat angles P-C4'-P energy: -34.405
tors. eta vs tors. theta energy: 9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -374.206090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.206090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.206090 (E_RNA)
where:
Base-Base interactions energy: -148.637
where: short stacking energy: -111.417
Base-Backbone interact. energy: 0.127
local terms energy: -225.695966
where:
bonds (distance) C4'-P energy: -59.099
bonds (distance) P-C4' energy: -62.733
flat angles C4'-P-C4' energy: -69.053
flat angles P-C4'-P energy: -30.266
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -314.554378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.554378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.554378 (E_RNA)
where:
Base-Base interactions energy: -91.872
where: short stacking energy: -84.479
Base-Backbone interact. energy: 0.569
local terms energy: -223.251561
where:
bonds (distance) C4'-P energy: -68.946
bonds (distance) P-C4' energy: -72.167
flat angles C4'-P-C4' energy: -54.778
flat angles P-C4'-P energy: -20.610
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1375.947516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.947516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.947516 (E_RNA)
where:
Base-Base interactions energy: -942.007
where: short stacking energy: -387.933
Base-Backbone interact. energy: 0.710
local terms energy: -434.649773
where:
bonds (distance) C4'-P energy: -79.720
bonds (distance) P-C4' energy: -82.358
flat angles C4'-P-C4' energy: -93.779
flat angles P-C4'-P energy: -60.468
tors. eta vs tors. theta energy: -118.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1302.104431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.104431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.104431 (E_RNA)
where:
Base-Base interactions energy: -892.369
where: short stacking energy: -346.001
Base-Backbone interact. energy: -2.778
local terms energy: -406.957926
where:
bonds (distance) C4'-P energy: -87.874
bonds (distance) P-C4' energy: -72.769
flat angles C4'-P-C4' energy: -86.726
flat angles P-C4'-P energy: -54.163
tors. eta vs tors. theta energy: -105.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1237.848999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.848999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.848999 (E_RNA)
where:
Base-Base interactions energy: -857.356
where: short stacking energy: -357.831
Base-Backbone interact. energy: -0.074
local terms energy: -380.419240
where:
bonds (distance) C4'-P energy: -68.701
bonds (distance) P-C4' energy: -73.305
flat angles C4'-P-C4' energy: -82.709
flat angles P-C4'-P energy: -49.598
tors. eta vs tors. theta energy: -106.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1175.055002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.055002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.055002 (E_RNA)
where:
Base-Base interactions energy: -783.775
where: short stacking energy: -338.019
Base-Backbone interact. energy: -0.208
local terms energy: -391.072347
where:
bonds (distance) C4'-P energy: -78.411
bonds (distance) P-C4' energy: -74.565
flat angles C4'-P-C4' energy: -89.760
flat angles P-C4'-P energy: -57.079
tors. eta vs tors. theta energy: -91.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1000.708973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.708973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.708973 (E_RNA)
where:
Base-Base interactions energy: -666.267
where: short stacking energy: -296.169
Base-Backbone interact. energy: -4.003
local terms energy: -330.439013
where:
bonds (distance) C4'-P energy: -73.169
bonds (distance) P-C4' energy: -64.551
flat angles C4'-P-C4' energy: -58.672
flat angles P-C4'-P energy: -49.363
tors. eta vs tors. theta energy: -84.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -921.172831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.172831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.172831 (E_RNA)
where:
Base-Base interactions energy: -579.777
where: short stacking energy: -261.834
Base-Backbone interact. energy: -1.868
local terms energy: -339.528548
where:
bonds (distance) C4'-P energy: -65.373
bonds (distance) P-C4' energy: -70.042
flat angles C4'-P-C4' energy: -77.385
flat angles P-C4'-P energy: -53.224
tors. eta vs tors. theta energy: -73.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -551.054047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.054047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.054047 (E_RNA)
where:
Base-Base interactions energy: -300.479
where: short stacking energy: -152.231
Base-Backbone interact. energy: -2.742
local terms energy: -247.833017
where:
bonds (distance) C4'-P energy: -63.979
bonds (distance) P-C4' energy: -70.303
flat angles C4'-P-C4' energy: -52.899
flat angles P-C4'-P energy: -40.977
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -353.891648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.891648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.891648 (E_RNA)
where:
Base-Base interactions energy: -129.095
where: short stacking energy: -110.386
Base-Backbone interact. energy: -0.178
local terms energy: -224.618847
where:
bonds (distance) C4'-P energy: -71.114
bonds (distance) P-C4' energy: -63.875
flat angles C4'-P-C4' energy: -49.869
flat angles P-C4'-P energy: -41.814
tors. eta vs tors. theta energy: 2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -351.775612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.775612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.775612 (E_RNA)
where:
Base-Base interactions energy: -124.015
where: short stacking energy: -96.117
Base-Backbone interact. energy: -0.325
local terms energy: -227.435989
where:
bonds (distance) C4'-P energy: -75.744
bonds (distance) P-C4' energy: -75.489
flat angles C4'-P-C4' energy: -60.477
flat angles P-C4'-P energy: -32.522
tors. eta vs tors. theta energy: 16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -323.239948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.239948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.239948 (E_RNA)
where:
Base-Base interactions energy: -139.626
where: short stacking energy: -109.698
Base-Backbone interact. energy: -1.686
local terms energy: -181.928051
where:
bonds (distance) C4'-P energy: -57.527
bonds (distance) P-C4' energy: -74.276
flat angles C4'-P-C4' energy: -54.887
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: 12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1383.144822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.144822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.144822 (E_RNA)
where:
Base-Base interactions energy: -936.541
where: short stacking energy: -401.602
Base-Backbone interact. energy: -1.414
local terms energy: -445.190187
where:
bonds (distance) C4'-P energy: -77.371
bonds (distance) P-C4' energy: -85.700
flat angles C4'-P-C4' energy: -97.446
flat angles P-C4'-P energy: -70.321
tors. eta vs tors. theta energy: -114.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1309.196497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.196497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.196497 (E_RNA)
where:
Base-Base interactions energy: -904.416
where: short stacking energy: -366.659
Base-Backbone interact. energy: -2.048
local terms energy: -402.732695
where:
bonds (distance) C4'-P energy: -81.561
bonds (distance) P-C4' energy: -73.273
flat angles C4'-P-C4' energy: -80.762
flat angles P-C4'-P energy: -57.523
tors. eta vs tors. theta energy: -109.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1243.986732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.986732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.986732 (E_RNA)
where:
Base-Base interactions energy: -849.898
where: short stacking energy: -373.060
Base-Backbone interact. energy: -2.177
local terms energy: -391.911326
where:
bonds (distance) C4'-P energy: -63.401
bonds (distance) P-C4' energy: -85.348
flat angles C4'-P-C4' energy: -85.236
flat angles P-C4'-P energy: -46.492
tors. eta vs tors. theta energy: -111.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1101.041989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.041989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.041989 (E_RNA)
where:
Base-Base interactions energy: -764.271
where: short stacking energy: -323.503
Base-Backbone interact. energy: -2.791
local terms energy: -333.979888
where:
bonds (distance) C4'-P energy: -58.833
bonds (distance) P-C4' energy: -84.298
flat angles C4'-P-C4' energy: -75.982
flat angles P-C4'-P energy: -40.895
tors. eta vs tors. theta energy: -73.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -995.480758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.480758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.480758 (E_RNA)
where:
Base-Base interactions energy: -646.292
where: short stacking energy: -279.341
Base-Backbone interact. energy: -1.854
local terms energy: -347.335021
where:
bonds (distance) C4'-P energy: -71.534
bonds (distance) P-C4' energy: -75.709
flat angles C4'-P-C4' energy: -60.391
flat angles P-C4'-P energy: -55.754
tors. eta vs tors. theta energy: -83.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -892.925802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.925802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.925802 (E_RNA)
where:
Base-Base interactions energy: -572.717
where: short stacking energy: -257.846
Base-Backbone interact. energy: 1.644
local terms energy: -321.852377
where:
bonds (distance) C4'-P energy: -70.400
bonds (distance) P-C4' energy: -83.631
flat angles C4'-P-C4' energy: -64.988
flat angles P-C4'-P energy: -47.984
tors. eta vs tors. theta energy: -54.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -600.634623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.634623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.634623 (E_RNA)
where:
Base-Base interactions energy: -341.507
where: short stacking energy: -168.070
Base-Backbone interact. energy: -2.501
local terms energy: -256.625889
where:
bonds (distance) C4'-P energy: -72.159
bonds (distance) P-C4' energy: -72.911
flat angles C4'-P-C4' energy: -63.096
flat angles P-C4'-P energy: -31.028
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -365.708253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.708253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.708253 (E_RNA)
where:
Base-Base interactions energy: -121.742
where: short stacking energy: -112.921
Base-Backbone interact. energy: -1.207
local terms energy: -242.759014
where:
bonds (distance) C4'-P energy: -74.114
bonds (distance) P-C4' energy: -77.845
flat angles C4'-P-C4' energy: -70.644
flat angles P-C4'-P energy: -28.386
tors. eta vs tors. theta energy: 8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -368.234380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.234380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.234380 (E_RNA)
where:
Base-Base interactions energy: -143.945
where: short stacking energy: -111.286
Base-Backbone interact. energy: 0.843
local terms energy: -225.132033
where:
bonds (distance) C4'-P energy: -68.173
bonds (distance) P-C4' energy: -78.493
flat angles C4'-P-C4' energy: -41.370
flat angles P-C4'-P energy: -40.499
tors. eta vs tors. theta energy: 3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -322.225332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.225332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.225332 (E_RNA)
where:
Base-Base interactions energy: -101.165
where: short stacking energy: -81.885
Base-Backbone interact. energy: -1.448
local terms energy: -219.612297
where:
bonds (distance) C4'-P energy: -60.012
bonds (distance) P-C4' energy: -76.636
flat angles C4'-P-C4' energy: -49.729
flat angles P-C4'-P energy: -41.551
tors. eta vs tors. theta energy: 8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1357.071599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.071599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.071599 (E_RNA)
where:
Base-Base interactions energy: -924.122
where: short stacking energy: -403.713
Base-Backbone interact. energy: -2.239
local terms energy: -430.710767
where:
bonds (distance) C4'-P energy: -83.263
bonds (distance) P-C4' energy: -75.321
flat angles C4'-P-C4' energy: -93.658
flat angles P-C4'-P energy: -63.208
tors. eta vs tors. theta energy: -115.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1266.885177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.885177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.885177 (E_RNA)
where:
Base-Base interactions energy: -853.409
where: short stacking energy: -370.422
Base-Backbone interact. energy: -0.370
local terms energy: -413.105649
where:
bonds (distance) C4'-P energy: -78.350
bonds (distance) P-C4' energy: -75.242
flat angles C4'-P-C4' energy: -89.324
flat angles P-C4'-P energy: -52.996
tors. eta vs tors. theta energy: -117.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1283.061510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.061510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.061510 (E_RNA)
where:
Base-Base interactions energy: -884.166
where: short stacking energy: -360.592
Base-Backbone interact. energy: -1.375
local terms energy: -397.520878
where:
bonds (distance) C4'-P energy: -74.219
bonds (distance) P-C4' energy: -71.923
flat angles C4'-P-C4' energy: -85.882
flat angles P-C4'-P energy: -55.583
tors. eta vs tors. theta energy: -109.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1143.173917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.173917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.173917 (E_RNA)
where:
Base-Base interactions energy: -749.929
where: short stacking energy: -323.051
Base-Backbone interact. energy: -2.643
local terms energy: -390.602331
where:
bonds (distance) C4'-P energy: -78.584
bonds (distance) P-C4' energy: -70.208
flat angles C4'-P-C4' energy: -78.659
flat angles P-C4'-P energy: -58.451
tors. eta vs tors. theta energy: -104.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1060.859994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.859994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.859994 (E_RNA)
where:
Base-Base interactions energy: -701.852
where: short stacking energy: -296.549
Base-Backbone interact. energy: -3.117
local terms energy: -355.890605
where:
bonds (distance) C4'-P energy: -73.923
bonds (distance) P-C4' energy: -68.405
flat angles C4'-P-C4' energy: -76.035
flat angles P-C4'-P energy: -50.267
tors. eta vs tors. theta energy: -87.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -870.259714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.259714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.259714 (E_RNA)
where:
Base-Base interactions energy: -583.740
where: short stacking energy: -234.139
Base-Backbone interact. energy: -1.604
local terms energy: -284.915516
where:
bonds (distance) C4'-P energy: -66.827
bonds (distance) P-C4' energy: -70.784
flat angles C4'-P-C4' energy: -71.569
flat angles P-C4'-P energy: -32.027
tors. eta vs tors. theta energy: -43.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -702.656105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.656105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.656105 (E_RNA)
where:
Base-Base interactions energy: -413.039
where: short stacking energy: -190.470
Base-Backbone interact. energy: -2.367
local terms energy: -287.250037
where:
bonds (distance) C4'-P energy: -76.125
bonds (distance) P-C4' energy: -79.576
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -39.257
tors. eta vs tors. theta energy: -36.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -456.578129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.578129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.578129 (E_RNA)
where:
Base-Base interactions energy: -204.530
where: short stacking energy: -142.391
Base-Backbone interact. energy: 0.387
local terms energy: -252.435695
where:
bonds (distance) C4'-P energy: -74.744
bonds (distance) P-C4' energy: -69.798
flat angles C4'-P-C4' energy: -70.944
flat angles P-C4'-P energy: -30.378
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -338.355246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.355246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.355246 (E_RNA)
where:
Base-Base interactions energy: -117.338
where: short stacking energy: -107.388
Base-Backbone interact. energy: 2.192
local terms energy: -223.209826
where:
bonds (distance) C4'-P energy: -65.008
bonds (distance) P-C4' energy: -79.409
flat angles C4'-P-C4' energy: -59.050
flat angles P-C4'-P energy: -33.302
tors. eta vs tors. theta energy: 13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -329.872032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.872032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.872032 (E_RNA)
where:
Base-Base interactions energy: -112.771
where: short stacking energy: -71.718
Base-Backbone interact. energy: 7.091
local terms energy: -224.192730
where:
bonds (distance) C4'-P energy: -61.116
bonds (distance) P-C4' energy: -72.542
flat angles C4'-P-C4' energy: -66.038
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: 12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1349.019614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.019614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.019614 (E_RNA)
where:
Base-Base interactions energy: -937.080
where: short stacking energy: -401.413
Base-Backbone interact. energy: 0.683
local terms energy: -412.622033
where:
bonds (distance) C4'-P energy: -68.441
bonds (distance) P-C4' energy: -79.660
flat angles C4'-P-C4' energy: -83.903
flat angles P-C4'-P energy: -61.158
tors. eta vs tors. theta energy: -119.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1272.611920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.611920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.611920 (E_RNA)
where:
Base-Base interactions energy: -883.079
where: short stacking energy: -380.448
Base-Backbone interact. energy: -0.623
local terms energy: -388.910739
where:
bonds (distance) C4'-P energy: -64.884
bonds (distance) P-C4' energy: -69.738
flat angles C4'-P-C4' energy: -79.188
flat angles P-C4'-P energy: -62.515
tors. eta vs tors. theta energy: -112.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1269.664958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.664958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.664958 (E_RNA)
where:
Base-Base interactions energy: -885.563
where: short stacking energy: -341.459
Base-Backbone interact. energy: -1.331
local terms energy: -382.770222
where:
bonds (distance) C4'-P energy: -68.784
bonds (distance) P-C4' energy: -71.005
flat angles C4'-P-C4' energy: -75.664
flat angles P-C4'-P energy: -57.423
tors. eta vs tors. theta energy: -109.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1122.142716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.142716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.142716 (E_RNA)
where:
Base-Base interactions energy: -763.380
where: short stacking energy: -322.426
Base-Backbone interact. energy: 1.150
local terms energy: -359.912558
where:
bonds (distance) C4'-P energy: -70.743
bonds (distance) P-C4' energy: -64.912
flat angles C4'-P-C4' energy: -80.286
flat angles P-C4'-P energy: -57.282
tors. eta vs tors. theta energy: -86.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1050.289848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.289848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.289848 (E_RNA)
where:
Base-Base interactions energy: -692.792
where: short stacking energy: -311.553
Base-Backbone interact. energy: -2.349
local terms energy: -355.148159
where:
bonds (distance) C4'-P energy: -68.563
bonds (distance) P-C4' energy: -65.786
flat angles C4'-P-C4' energy: -71.451
flat angles P-C4'-P energy: -52.890
tors. eta vs tors. theta energy: -96.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -907.497643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.497643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.497643 (E_RNA)
where:
Base-Base interactions energy: -590.947
where: short stacking energy: -255.772
Base-Backbone interact. energy: 0.073
local terms energy: -316.622928
where:
bonds (distance) C4'-P energy: -79.088
bonds (distance) P-C4' energy: -57.682
flat angles C4'-P-C4' energy: -77.324
flat angles P-C4'-P energy: -45.921
tors. eta vs tors. theta energy: -56.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -782.843889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.843889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.843889 (E_RNA)
where:
Base-Base interactions energy: -494.881
where: short stacking energy: -211.429
Base-Backbone interact. energy: -1.330
local terms energy: -286.632149
where:
bonds (distance) C4'-P energy: -52.085
bonds (distance) P-C4' energy: -67.130
flat angles C4'-P-C4' energy: -76.731
flat angles P-C4'-P energy: -46.849
tors. eta vs tors. theta energy: -43.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -429.596258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.596258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.596258 (E_RNA)
where:
Base-Base interactions energy: -188.984
where: short stacking energy: -119.642
Base-Backbone interact. energy: 2.654
local terms energy: -243.266103
where:
bonds (distance) C4'-P energy: -66.906
bonds (distance) P-C4' energy: -77.849
flat angles C4'-P-C4' energy: -55.287
flat angles P-C4'-P energy: -42.029
tors. eta vs tors. theta energy: -1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -355.415517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.415517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.415517 (E_RNA)
where:
Base-Base interactions energy: -108.777
where: short stacking energy: -99.549
Base-Backbone interact. energy: -1.350
local terms energy: -245.288429
where:
bonds (distance) C4'-P energy: -64.943
bonds (distance) P-C4' energy: -75.816
flat angles C4'-P-C4' energy: -69.707
flat angles P-C4'-P energy: -43.278
tors. eta vs tors. theta energy: 8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -316.145039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.145039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.145039 (E_RNA)
where:
Base-Base interactions energy: -109.706
where: short stacking energy: -103.373
Base-Backbone interact. energy: -0.083
local terms energy: -206.355107
where:
bonds (distance) C4'-P energy: -58.713
bonds (distance) P-C4' energy: -80.423
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -44.743
tors. eta vs tors. theta energy: 4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1350.342256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.342256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.342256 (E_RNA)
where:
Base-Base interactions energy: -932.395
where: short stacking energy: -384.706
Base-Backbone interact. energy: 0.437
local terms energy: -418.385051
where:
bonds (distance) C4'-P energy: -63.973
bonds (distance) P-C4' energy: -83.380
flat angles C4'-P-C4' energy: -90.317
flat angles P-C4'-P energy: -67.084
tors. eta vs tors. theta energy: -113.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1298.185180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.185180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.185180 (E_RNA)
where:
Base-Base interactions energy: -894.902
where: short stacking energy: -345.857
Base-Backbone interact. energy: -1.948
local terms energy: -401.335444
where:
bonds (distance) C4'-P energy: -71.115
bonds (distance) P-C4' energy: -70.403
flat angles C4'-P-C4' energy: -86.967
flat angles P-C4'-P energy: -60.538
tors. eta vs tors. theta energy: -112.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1254.718636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.718636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.718636 (E_RNA)
where:
Base-Base interactions energy: -857.450
where: short stacking energy: -376.712
Base-Backbone interact. energy: -1.745
local terms energy: -395.523942
where:
bonds (distance) C4'-P energy: -74.496
bonds (distance) P-C4' energy: -71.660
flat angles C4'-P-C4' energy: -79.488
flat angles P-C4'-P energy: -59.170
tors. eta vs tors. theta energy: -110.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1155.323447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.323447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.323447 (E_RNA)
where:
Base-Base interactions energy: -792.653
where: short stacking energy: -324.211
Base-Backbone interact. energy: 0.685
local terms energy: -363.355322
where:
bonds (distance) C4'-P energy: -70.074
bonds (distance) P-C4' energy: -66.708
flat angles C4'-P-C4' energy: -79.816
flat angles P-C4'-P energy: -46.852
tors. eta vs tors. theta energy: -99.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1057.145428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.145428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.145428 (E_RNA)
where:
Base-Base interactions energy: -703.387
where: short stacking energy: -307.513
Base-Backbone interact. energy: -0.235
local terms energy: -353.523851
where:
bonds (distance) C4'-P energy: -71.814
bonds (distance) P-C4' energy: -71.298
flat angles C4'-P-C4' energy: -78.784
flat angles P-C4'-P energy: -46.059
tors. eta vs tors. theta energy: -85.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -910.384329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.384329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.384329 (E_RNA)
where:
Base-Base interactions energy: -581.626
where: short stacking energy: -270.990
Base-Backbone interact. energy: 4.882
local terms energy: -333.639976
where:
bonds (distance) C4'-P energy: -74.063
bonds (distance) P-C4' energy: -64.427
flat angles C4'-P-C4' energy: -86.344
flat angles P-C4'-P energy: -44.083
tors. eta vs tors. theta energy: -64.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -771.423545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.423545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.423545 (E_RNA)
where:
Base-Base interactions energy: -479.561
where: short stacking energy: -218.441
Base-Backbone interact. energy: 4.410
local terms energy: -296.273360
where:
bonds (distance) C4'-P energy: -56.783
bonds (distance) P-C4' energy: -77.499
flat angles C4'-P-C4' energy: -72.547
flat angles P-C4'-P energy: -40.929
tors. eta vs tors. theta energy: -48.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -359.238018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.238018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.238018 (E_RNA)
where:
Base-Base interactions energy: -122.207
where: short stacking energy: -109.913
Base-Backbone interact. energy: 3.416
local terms energy: -240.447643
where:
bonds (distance) C4'-P energy: -56.591
bonds (distance) P-C4' energy: -76.814
flat angles C4'-P-C4' energy: -58.781
flat angles P-C4'-P energy: -41.736
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -408.069742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.069742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.069742 (E_RNA)
where:
Base-Base interactions energy: -189.169
where: short stacking energy: -111.391
Base-Backbone interact. energy: -1.745
local terms energy: -217.155946
where:
bonds (distance) C4'-P energy: -61.207
bonds (distance) P-C4' energy: -67.349
flat angles C4'-P-C4' energy: -58.063
flat angles P-C4'-P energy: -43.220
tors. eta vs tors. theta energy: 12.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -339.936628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.936628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.936628 (E_RNA)
where:
Base-Base interactions energy: -145.888
where: short stacking energy: -96.020
Base-Backbone interact. energy: 2.889
local terms energy: -196.938275
where:
bonds (distance) C4'-P energy: -52.584
bonds (distance) P-C4' energy: -40.734
flat angles C4'-P-C4' energy: -73.654
flat angles P-C4'-P energy: -35.945
tors. eta vs tors. theta energy: 5.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1363.827646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.827646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.827646 (E_RNA)
where:
Base-Base interactions energy: -941.382
where: short stacking energy: -383.966
Base-Backbone interact. energy: -1.237
local terms energy: -421.208040
where:
bonds (distance) C4'-P energy: -68.086
bonds (distance) P-C4' energy: -79.697
flat angles C4'-P-C4' energy: -93.863
flat angles P-C4'-P energy: -65.067
tors. eta vs tors. theta energy: -114.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1286.311498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.311498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.311498 (E_RNA)
where:
Base-Base interactions energy: -879.773
where: short stacking energy: -332.815
Base-Backbone interact. energy: -2.409
local terms energy: -404.129859
where:
bonds (distance) C4'-P energy: -90.132
bonds (distance) P-C4' energy: -75.295
flat angles C4'-P-C4' energy: -87.731
flat angles P-C4'-P energy: -52.795
tors. eta vs tors. theta energy: -98.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1247.086555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.086555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.086555 (E_RNA)
where:
Base-Base interactions energy: -854.147
where: short stacking energy: -349.171
Base-Backbone interact. energy: -2.371
local terms energy: -390.568730
where:
bonds (distance) C4'-P energy: -76.365
bonds (distance) P-C4' energy: -61.226
flat angles C4'-P-C4' energy: -85.236
flat angles P-C4'-P energy: -62.557
tors. eta vs tors. theta energy: -105.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1165.138699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.138699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.138699 (E_RNA)
where:
Base-Base interactions energy: -787.828
where: short stacking energy: -325.891
Base-Backbone interact. energy: -2.068
local terms energy: -375.242418
where:
bonds (distance) C4'-P energy: -75.798
bonds (distance) P-C4' energy: -69.363
flat angles C4'-P-C4' energy: -88.216
flat angles P-C4'-P energy: -52.184
tors. eta vs tors. theta energy: -89.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1003.757424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.757424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.757424 (E_RNA)
where:
Base-Base interactions energy: -663.557
where: short stacking energy: -291.162
Base-Backbone interact. energy: -0.946
local terms energy: -339.254804
where:
bonds (distance) C4'-P energy: -72.367
bonds (distance) P-C4' energy: -64.543
flat angles C4'-P-C4' energy: -73.167
flat angles P-C4'-P energy: -45.583
tors. eta vs tors. theta energy: -83.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -891.930216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.930216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.930216 (E_RNA)
where:
Base-Base interactions energy: -558.163
where: short stacking energy: -233.230
Base-Backbone interact. energy: -2.012
local terms energy: -331.754994
where:
bonds (distance) C4'-P energy: -76.408
bonds (distance) P-C4' energy: -62.070
flat angles C4'-P-C4' energy: -78.885
flat angles P-C4'-P energy: -53.937
tors. eta vs tors. theta energy: -60.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -759.093675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.093675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.093675 (E_RNA)
where:
Base-Base interactions energy: -449.174
where: short stacking energy: -206.618
Base-Backbone interact. energy: -1.438
local terms energy: -308.481757
where:
bonds (distance) C4'-P energy: -73.078
bonds (distance) P-C4' energy: -80.250
flat angles C4'-P-C4' energy: -72.665
flat angles P-C4'-P energy: -38.762
tors. eta vs tors. theta energy: -43.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -378.170627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.170627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.170627 (E_RNA)
where:
Base-Base interactions energy: -130.439
where: short stacking energy: -114.618
Base-Backbone interact. energy: -0.630
local terms energy: -247.102520
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -68.675
flat angles C4'-P-C4' energy: -69.960
flat angles P-C4'-P energy: -41.842
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -405.718978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.718978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.718978 (E_RNA)
where:
Base-Base interactions energy: -175.568
where: short stacking energy: -128.968
Base-Backbone interact. energy: -2.174
local terms energy: -227.977041
where:
bonds (distance) C4'-P energy: -53.274
bonds (distance) P-C4' energy: -77.735
flat angles C4'-P-C4' energy: -61.028
flat angles P-C4'-P energy: -30.343
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -312.168361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.168361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.168361 (E_RNA)
where:
Base-Base interactions energy: -136.728
where: short stacking energy: -90.954
Base-Backbone interact. energy: -0.908
local terms energy: -174.532559
where:
bonds (distance) C4'-P energy: -45.821
bonds (distance) P-C4' energy: -69.457
flat angles C4'-P-C4' energy: -51.133
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: 16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1356.526727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.526727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.526727 (E_RNA)
where:
Base-Base interactions energy: -935.433
where: short stacking energy: -386.769
Base-Backbone interact. energy: -1.347
local terms energy: -419.746684
where:
bonds (distance) C4'-P energy: -74.369
bonds (distance) P-C4' energy: -86.973
flat angles C4'-P-C4' energy: -93.934
flat angles P-C4'-P energy: -58.453
tors. eta vs tors. theta energy: -106.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1283.260925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.260925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.260925 (E_RNA)
where:
Base-Base interactions energy: -864.381
where: short stacking energy: -374.471
Base-Backbone interact. energy: -0.759
local terms energy: -418.120942
where:
bonds (distance) C4'-P energy: -88.798
bonds (distance) P-C4' energy: -76.042
flat angles C4'-P-C4' energy: -84.061
flat angles P-C4'-P energy: -52.925
tors. eta vs tors. theta energy: -116.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1215.476364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.476364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.476364 (E_RNA)
where:
Base-Base interactions energy: -822.083
where: short stacking energy: -315.931
Base-Backbone interact. energy: -0.840
local terms energy: -392.553607
where:
bonds (distance) C4'-P energy: -75.055
bonds (distance) P-C4' energy: -74.465
flat angles C4'-P-C4' energy: -87.906
flat angles P-C4'-P energy: -61.496
tors. eta vs tors. theta energy: -93.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1118.812057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.812057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.812057 (E_RNA)
where:
Base-Base interactions energy: -754.393
where: short stacking energy: -313.151
Base-Backbone interact. energy: -1.914
local terms energy: -362.504419
where:
bonds (distance) C4'-P energy: -72.619
bonds (distance) P-C4' energy: -72.730
flat angles C4'-P-C4' energy: -75.521
flat angles P-C4'-P energy: -60.947
tors. eta vs tors. theta energy: -80.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1025.679945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.679945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.679945 (E_RNA)
where:
Base-Base interactions energy: -672.227
where: short stacking energy: -311.239
Base-Backbone interact. energy: -1.424
local terms energy: -352.028539
where:
bonds (distance) C4'-P energy: -62.024
bonds (distance) P-C4' energy: -81.606
flat angles C4'-P-C4' energy: -64.016
flat angles P-C4'-P energy: -53.304
tors. eta vs tors. theta energy: -91.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -900.967819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.967819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.967819 (E_RNA)
where:
Base-Base interactions energy: -620.838
where: short stacking energy: -248.152
Base-Backbone interact. energy: -3.751
local terms energy: -276.379208
where:
bonds (distance) C4'-P energy: -60.860
bonds (distance) P-C4' energy: -71.182
flat angles C4'-P-C4' energy: -63.297
flat angles P-C4'-P energy: -29.323
tors. eta vs tors. theta energy: -51.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -702.978600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.978600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.978600 (E_RNA)
where:
Base-Base interactions energy: -413.909
where: short stacking energy: -206.942
Base-Backbone interact. energy: -0.774
local terms energy: -288.295712
where:
bonds (distance) C4'-P energy: -65.964
bonds (distance) P-C4' energy: -69.374
flat angles C4'-P-C4' energy: -72.944
flat angles P-C4'-P energy: -41.946
tors. eta vs tors. theta energy: -38.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -547.304106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.304106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.304106 (E_RNA)
where:
Base-Base interactions energy: -291.945
where: short stacking energy: -151.047
Base-Backbone interact. energy: 1.375
local terms energy: -256.733409
where:
bonds (distance) C4'-P energy: -64.537
bonds (distance) P-C4' energy: -72.034
flat angles C4'-P-C4' energy: -56.566
flat angles P-C4'-P energy: -40.429
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -354.828030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.828030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.828030 (E_RNA)
where:
Base-Base interactions energy: -129.108
where: short stacking energy: -107.973
Base-Backbone interact. energy: 1.103
local terms energy: -226.823292
where:
bonds (distance) C4'-P energy: -59.764
bonds (distance) P-C4' energy: -69.067
flat angles C4'-P-C4' energy: -61.529
flat angles P-C4'-P energy: -34.357
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -312.918064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.918064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.918064 (E_RNA)
where:
Base-Base interactions energy: -98.476
where: short stacking energy: -82.597
Base-Backbone interact. energy: -0.743
local terms energy: -213.698940
where:
bonds (distance) C4'-P energy: -64.144
bonds (distance) P-C4' energy: -64.004
flat angles C4'-P-C4' energy: -62.245
flat angles P-C4'-P energy: -36.893
tors. eta vs tors. theta energy: 13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1351.888820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.888820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.888820 (E_RNA)
where:
Base-Base interactions energy: -922.413
where: short stacking energy: -383.354
Base-Backbone interact. energy: 0.689
local terms energy: -430.164593
where:
bonds (distance) C4'-P energy: -87.248
bonds (distance) P-C4' energy: -87.876
flat angles C4'-P-C4' energy: -80.255
flat angles P-C4'-P energy: -50.912
tors. eta vs tors. theta energy: -123.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1306.923062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.923062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.923062 (E_RNA)
where:
Base-Base interactions energy: -902.591
where: short stacking energy: -386.515
Base-Backbone interact. energy: -1.490
local terms energy: -402.842208
where:
bonds (distance) C4'-P energy: -70.775
bonds (distance) P-C4' energy: -71.328
flat angles C4'-P-C4' energy: -90.234
flat angles P-C4'-P energy: -57.931
tors. eta vs tors. theta energy: -112.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1244.290788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.290788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.290788 (E_RNA)
where:
Base-Base interactions energy: -873.690
where: short stacking energy: -359.608
Base-Backbone interact. energy: 1.652
local terms energy: -372.252188
where:
bonds (distance) C4'-P energy: -62.978
bonds (distance) P-C4' energy: -85.729
flat angles C4'-P-C4' energy: -74.174
flat angles P-C4'-P energy: -49.078
tors. eta vs tors. theta energy: -100.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1131.741888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.741888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.741888 (E_RNA)
where:
Base-Base interactions energy: -762.286
where: short stacking energy: -314.036
Base-Backbone interact. energy: -1.702
local terms energy: -367.753546
where:
bonds (distance) C4'-P energy: -62.134
bonds (distance) P-C4' energy: -77.246
flat angles C4'-P-C4' energy: -80.807
flat angles P-C4'-P energy: -58.684
tors. eta vs tors. theta energy: -88.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1052.416931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.416931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.416931 (E_RNA)
where:
Base-Base interactions energy: -708.690
where: short stacking energy: -316.612
Base-Backbone interact. energy: -1.670
local terms energy: -342.057026
where:
bonds (distance) C4'-P energy: -62.087
bonds (distance) P-C4' energy: -63.659
flat angles C4'-P-C4' energy: -70.626
flat angles P-C4'-P energy: -59.375
tors. eta vs tors. theta energy: -86.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -914.983668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.983668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.983668 (E_RNA)
where:
Base-Base interactions energy: -596.615
where: short stacking energy: -232.068
Base-Backbone interact. energy: -3.384
local terms energy: -314.985310
where:
bonds (distance) C4'-P energy: -69.878
bonds (distance) P-C4' energy: -70.996
flat angles C4'-P-C4' energy: -76.498
flat angles P-C4'-P energy: -41.986
tors. eta vs tors. theta energy: -55.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -730.697458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.697458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.697458 (E_RNA)
where:
Base-Base interactions energy: -450.030
where: short stacking energy: -229.182
Base-Backbone interact. energy: -1.384
local terms energy: -279.283592
where:
bonds (distance) C4'-P energy: -64.390
bonds (distance) P-C4' energy: -74.363
flat angles C4'-P-C4' energy: -68.763
flat angles P-C4'-P energy: -34.802
tors. eta vs tors. theta energy: -36.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -535.894567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.894567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.894567 (E_RNA)
where:
Base-Base interactions energy: -286.597
where: short stacking energy: -150.374
Base-Backbone interact. energy: -1.026
local terms energy: -248.271700
where:
bonds (distance) C4'-P energy: -64.169
bonds (distance) P-C4' energy: -80.131
flat angles C4'-P-C4' energy: -58.473
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -323.892928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.892928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.892928 (E_RNA)
where:
Base-Base interactions energy: -90.017
where: short stacking energy: -70.450
Base-Backbone interact. energy: -1.478
local terms energy: -232.397391
where:
bonds (distance) C4'-P energy: -77.352
bonds (distance) P-C4' energy: -80.313
flat angles C4'-P-C4' energy: -65.533
flat angles P-C4'-P energy: -26.886
tors. eta vs tors. theta energy: 17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -336.667728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.667728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.667728 (E_RNA)
where:
Base-Base interactions energy: -122.620
where: short stacking energy: -85.331
Base-Backbone interact. energy: 2.893
local terms energy: -216.940911
where:
bonds (distance) C4'-P energy: -60.150
bonds (distance) P-C4' energy: -81.879
flat angles C4'-P-C4' energy: -50.790
flat angles P-C4'-P energy: -40.047
tors. eta vs tors. theta energy: 15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1377.869913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.869913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.869913 (E_RNA)
where:
Base-Base interactions energy: -941.711
where: short stacking energy: -411.425
Base-Backbone interact. energy: -1.321
local terms energy: -434.837868
where:
bonds (distance) C4'-P energy: -74.824
bonds (distance) P-C4' energy: -70.303
flat angles C4'-P-C4' energy: -97.903
flat angles P-C4'-P energy: -69.935
tors. eta vs tors. theta energy: -121.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1315.451370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.451370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.451370 (E_RNA)
where:
Base-Base interactions energy: -896.722
where: short stacking energy: -397.488
Base-Backbone interact. energy: -2.689
local terms energy: -416.040932
where:
bonds (distance) C4'-P energy: -79.538
bonds (distance) P-C4' energy: -80.273
flat angles C4'-P-C4' energy: -87.831
flat angles P-C4'-P energy: -48.324
tors. eta vs tors. theta energy: -120.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1243.645060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.645060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.645060 (E_RNA)
where:
Base-Base interactions energy: -908.438
where: short stacking energy: -370.101
Base-Backbone interact. energy: -2.450
local terms energy: -332.756710
where:
bonds (distance) C4'-P energy: -62.558
bonds (distance) P-C4' energy: -58.613
flat angles C4'-P-C4' energy: -75.625
flat angles P-C4'-P energy: -35.128
tors. eta vs tors. theta energy: -100.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1130.727870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.727870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.727870 (E_RNA)
where:
Base-Base interactions energy: -761.236
where: short stacking energy: -351.246
Base-Backbone interact. energy: -1.744
local terms energy: -367.747533
where:
bonds (distance) C4'-P energy: -56.244
bonds (distance) P-C4' energy: -74.355
flat angles C4'-P-C4' energy: -93.104
flat angles P-C4'-P energy: -56.733
tors. eta vs tors. theta energy: -87.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1037.872954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.872954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.872954 (E_RNA)
where:
Base-Base interactions energy: -679.263
where: short stacking energy: -298.208
Base-Backbone interact. energy: -1.665
local terms energy: -356.944939
where:
bonds (distance) C4'-P energy: -77.398
bonds (distance) P-C4' energy: -66.696
flat angles C4'-P-C4' energy: -75.375
flat angles P-C4'-P energy: -55.031
tors. eta vs tors. theta energy: -82.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -831.697981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.697981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.697981 (E_RNA)
where:
Base-Base interactions energy: -536.033
where: short stacking energy: -226.372
Base-Backbone interact. energy: -4.535
local terms energy: -291.129758
where:
bonds (distance) C4'-P energy: -47.797
bonds (distance) P-C4' energy: -72.980
flat angles C4'-P-C4' energy: -80.979
flat angles P-C4'-P energy: -45.221
tors. eta vs tors. theta energy: -44.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -718.260956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.260956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.260956 (E_RNA)
where:
Base-Base interactions energy: -419.797
where: short stacking energy: -200.264
Base-Backbone interact. energy: 1.642
local terms energy: -300.106337
where:
bonds (distance) C4'-P energy: -70.124
bonds (distance) P-C4' energy: -77.381
flat angles C4'-P-C4' energy: -64.410
flat angles P-C4'-P energy: -36.626
tors. eta vs tors. theta energy: -51.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -581.276903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.276903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.276903 (E_RNA)
where:
Base-Base interactions energy: -331.341
where: short stacking energy: -164.951
Base-Backbone interact. energy: 1.544
local terms energy: -251.479937
where:
bonds (distance) C4'-P energy: -58.156
bonds (distance) P-C4' energy: -65.216
flat angles C4'-P-C4' energy: -63.609
flat angles P-C4'-P energy: -35.499
tors. eta vs tors. theta energy: -29.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -357.755623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.755623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.755623 (E_RNA)
where:
Base-Base interactions energy: -136.816
where: short stacking energy: -106.759
Base-Backbone interact. energy: 0.658
local terms energy: -221.597440
where:
bonds (distance) C4'-P energy: -71.094
bonds (distance) P-C4' energy: -71.569
flat angles C4'-P-C4' energy: -40.772
flat angles P-C4'-P energy: -35.136
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -317.887723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.887723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.887723 (E_RNA)
where:
Base-Base interactions energy: -109.582
where: short stacking energy: -95.341
Base-Backbone interact. energy: -1.332
local terms energy: -206.973686
where:
bonds (distance) C4'-P energy: -57.517
bonds (distance) P-C4' energy: -76.000
flat angles C4'-P-C4' energy: -56.731
flat angles P-C4'-P energy: -28.132
tors. eta vs tors. theta energy: 11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1371.570441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.570441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.570441 (E_RNA)
where:
Base-Base interactions energy: -952.461
where: short stacking energy: -396.163
Base-Backbone interact. energy: -1.020
local terms energy: -418.089318
where:
bonds (distance) C4'-P energy: -72.165
bonds (distance) P-C4' energy: -74.560
flat angles C4'-P-C4' energy: -89.193
flat angles P-C4'-P energy: -62.763
tors. eta vs tors. theta energy: -119.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1294.350176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.350176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.350176 (E_RNA)
where:
Base-Base interactions energy: -876.348
where: short stacking energy: -377.615
Base-Backbone interact. energy: -1.167
local terms energy: -416.834815
where:
bonds (distance) C4'-P energy: -84.617
bonds (distance) P-C4' energy: -79.988
flat angles C4'-P-C4' energy: -88.449
flat angles P-C4'-P energy: -50.692
tors. eta vs tors. theta energy: -113.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1259.227718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.227718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.227718 (E_RNA)
where:
Base-Base interactions energy: -873.364
where: short stacking energy: -347.169
Base-Backbone interact. energy: 2.939
local terms energy: -388.802500
where:
bonds (distance) C4'-P energy: -74.411
bonds (distance) P-C4' energy: -75.901
flat angles C4'-P-C4' energy: -80.408
flat angles P-C4'-P energy: -62.886
tors. eta vs tors. theta energy: -95.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1109.313877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.313877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.313877 (E_RNA)
where:
Base-Base interactions energy: -748.232
where: short stacking energy: -304.293
Base-Backbone interact. energy: -3.900
local terms energy: -357.181776
where:
bonds (distance) C4'-P energy: -83.195
bonds (distance) P-C4' energy: -67.502
flat angles C4'-P-C4' energy: -76.972
flat angles P-C4'-P energy: -46.127
tors. eta vs tors. theta energy: -83.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1080.537992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.537992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.537992 (E_RNA)
where:
Base-Base interactions energy: -705.242
where: short stacking energy: -325.056
Base-Backbone interact. energy: -1.608
local terms energy: -373.688280
where:
bonds (distance) C4'-P energy: -67.195
bonds (distance) P-C4' energy: -72.805
flat angles C4'-P-C4' energy: -78.439
flat angles P-C4'-P energy: -54.051
tors. eta vs tors. theta energy: -101.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -828.372972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.372972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.372972 (E_RNA)
where:
Base-Base interactions energy: -530.650
where: short stacking energy: -207.528
Base-Backbone interact. energy: -2.058
local terms energy: -295.664788
where:
bonds (distance) C4'-P energy: -68.153
bonds (distance) P-C4' energy: -78.033
flat angles C4'-P-C4' energy: -61.942
flat angles P-C4'-P energy: -51.530
tors. eta vs tors. theta energy: -36.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -761.272335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.272335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.272335 (E_RNA)
where:
Base-Base interactions energy: -463.481
where: short stacking energy: -219.068
Base-Backbone interact. energy: -2.185
local terms energy: -295.606493
where:
bonds (distance) C4'-P energy: -65.774
bonds (distance) P-C4' energy: -65.688
flat angles C4'-P-C4' energy: -72.506
flat angles P-C4'-P energy: -44.478
tors. eta vs tors. theta energy: -47.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -584.891128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.891128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.891128 (E_RNA)
where:
Base-Base interactions energy: -321.219
where: short stacking energy: -166.355
Base-Backbone interact. energy: -0.454
local terms energy: -263.217875
where:
bonds (distance) C4'-P energy: -70.574
bonds (distance) P-C4' energy: -74.027
flat angles C4'-P-C4' energy: -55.526
flat angles P-C4'-P energy: -43.600
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -358.513431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.513431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.513431 (E_RNA)
where:
Base-Base interactions energy: -128.504
where: short stacking energy: -88.732
Base-Backbone interact. energy: -1.450
local terms energy: -228.559467
where:
bonds (distance) C4'-P energy: -65.329
bonds (distance) P-C4' energy: -71.831
flat angles C4'-P-C4' energy: -71.263
flat angles P-C4'-P energy: -29.391
tors. eta vs tors. theta energy: 9.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -332.530206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.530206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.530206 (E_RNA)
where:
Base-Base interactions energy: -149.863
where: short stacking energy: -99.530
Base-Backbone interact. energy: 4.451
local terms energy: -187.118338
where:
bonds (distance) C4'-P energy: -65.471
bonds (distance) P-C4' energy: -59.930
flat angles C4'-P-C4' energy: -42.665
flat angles P-C4'-P energy: -34.157
tors. eta vs tors. theta energy: 15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1407.526366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.526366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.526366 (E_RNA)
where:
Base-Base interactions energy: -958.320
where: short stacking energy: -410.622
Base-Backbone interact. energy: -0.617
local terms energy: -448.589034
where:
bonds (distance) C4'-P energy: -84.394
bonds (distance) P-C4' energy: -83.846
flat angles C4'-P-C4' energy: -92.042
flat angles P-C4'-P energy: -65.175
tors. eta vs tors. theta energy: -123.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1311.494284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.494284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.494284 (E_RNA)
where:
Base-Base interactions energy: -876.341
where: short stacking energy: -380.843
Base-Backbone interact. energy: -1.424
local terms energy: -433.730058
where:
bonds (distance) C4'-P energy: -69.117
bonds (distance) P-C4' energy: -89.365
flat angles C4'-P-C4' energy: -95.484
flat angles P-C4'-P energy: -66.027
tors. eta vs tors. theta energy: -113.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1257.803878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.803878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.803878 (E_RNA)
where:
Base-Base interactions energy: -879.954
where: short stacking energy: -315.903
Base-Backbone interact. energy: -3.029
local terms energy: -374.820893
where:
bonds (distance) C4'-P energy: -72.028
bonds (distance) P-C4' energy: -77.589
flat angles C4'-P-C4' energy: -79.578
flat angles P-C4'-P energy: -56.133
tors. eta vs tors. theta energy: -89.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1172.490367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.490367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.490367 (E_RNA)
where:
Base-Base interactions energy: -789.339
where: short stacking energy: -335.279
Base-Backbone interact. energy: -6.048
local terms energy: -377.104073
where:
bonds (distance) C4'-P energy: -72.224
bonds (distance) P-C4' energy: -79.559
flat angles C4'-P-C4' energy: -74.991
flat angles P-C4'-P energy: -51.905
tors. eta vs tors. theta energy: -98.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1023.542724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.542724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.542724 (E_RNA)
where:
Base-Base interactions energy: -675.097
where: short stacking energy: -298.656
Base-Backbone interact. energy: 3.549
local terms energy: -351.994040
where:
bonds (distance) C4'-P energy: -67.546
bonds (distance) P-C4' energy: -65.061
flat angles C4'-P-C4' energy: -76.603
flat angles P-C4'-P energy: -58.108
tors. eta vs tors. theta energy: -84.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -779.336512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.336512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.336512 (E_RNA)
where:
Base-Base interactions energy: -470.751
where: short stacking energy: -228.482
Base-Backbone interact. energy: -0.850
local terms energy: -307.735464
where:
bonds (distance) C4'-P energy: -79.442
bonds (distance) P-C4' energy: -71.458
flat angles C4'-P-C4' energy: -63.648
flat angles P-C4'-P energy: -48.591
tors. eta vs tors. theta energy: -44.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -750.831349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.831349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.831349 (E_RNA)
where:
Base-Base interactions energy: -450.478
where: short stacking energy: -202.520
Base-Backbone interact. energy: -1.896
local terms energy: -298.456837
where:
bonds (distance) C4'-P energy: -76.322
bonds (distance) P-C4' energy: -74.487
flat angles C4'-P-C4' energy: -62.897
flat angles P-C4'-P energy: -48.198
tors. eta vs tors. theta energy: -36.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -573.702983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.702983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.702983 (E_RNA)
where:
Base-Base interactions energy: -333.079
where: short stacking energy: -155.179
Base-Backbone interact. energy: 2.028
local terms energy: -242.652598
where:
bonds (distance) C4'-P energy: -64.920
bonds (distance) P-C4' energy: -80.457
flat angles C4'-P-C4' energy: -51.105
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -362.318705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.318705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.318705 (E_RNA)
where:
Base-Base interactions energy: -130.885
where: short stacking energy: -77.546
Base-Backbone interact. energy: -1.181
local terms energy: -230.253132
where:
bonds (distance) C4'-P energy: -61.310
bonds (distance) P-C4' energy: -75.529
flat angles C4'-P-C4' energy: -68.629
flat angles P-C4'-P energy: -46.868
tors. eta vs tors. theta energy: 22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -306.964703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.964703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.964703 (E_RNA)
where:
Base-Base interactions energy: -102.624
where: short stacking energy: -91.589
Base-Backbone interact. energy: -2.070
local terms energy: -202.270401
where:
bonds (distance) C4'-P energy: -57.944
bonds (distance) P-C4' energy: -61.310
flat angles C4'-P-C4' energy: -54.601
flat angles P-C4'-P energy: -34.363
tors. eta vs tors. theta energy: 5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1390.525645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.525645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.525645 (E_RNA)
where:
Base-Base interactions energy: -943.041
where: short stacking energy: -414.920
Base-Backbone interact. energy: -1.365
local terms energy: -446.119851
where:
bonds (distance) C4'-P energy: -76.953
bonds (distance) P-C4' energy: -74.634
flat angles C4'-P-C4' energy: -95.936
flat angles P-C4'-P energy: -67.855
tors. eta vs tors. theta energy: -130.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1302.820367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.820367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.820367 (E_RNA)
where:
Base-Base interactions energy: -899.375
where: short stacking energy: -391.853
Base-Backbone interact. energy: -0.984
local terms energy: -402.461531
where:
bonds (distance) C4'-P energy: -67.687
bonds (distance) P-C4' energy: -77.485
flat angles C4'-P-C4' energy: -77.717
flat angles P-C4'-P energy: -61.079
tors. eta vs tors. theta energy: -118.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1243.908388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.908388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.908388 (E_RNA)
where:
Base-Base interactions energy: -871.842
where: short stacking energy: -326.533
Base-Backbone interact. energy: 1.234
local terms energy: -373.300191
where:
bonds (distance) C4'-P energy: -77.291
bonds (distance) P-C4' energy: -68.844
flat angles C4'-P-C4' energy: -80.721
flat angles P-C4'-P energy: -53.007
tors. eta vs tors. theta energy: -93.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1133.531191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.531191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.531191 (E_RNA)
where:
Base-Base interactions energy: -756.787
where: short stacking energy: -305.505
Base-Backbone interact. energy: -2.664
local terms energy: -374.079486
where:
bonds (distance) C4'-P energy: -79.950
bonds (distance) P-C4' energy: -81.699
flat angles C4'-P-C4' energy: -79.366
flat angles P-C4'-P energy: -50.073
tors. eta vs tors. theta energy: -82.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -978.816541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.816541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.816541 (E_RNA)
where:
Base-Base interactions energy: -627.007
where: short stacking energy: -294.649
Base-Backbone interact. energy: -1.497
local terms energy: -350.312808
where:
bonds (distance) C4'-P energy: -71.208
bonds (distance) P-C4' energy: -69.195
flat angles C4'-P-C4' energy: -75.092
flat angles P-C4'-P energy: -45.156
tors. eta vs tors. theta energy: -89.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -836.578973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.578973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.578973 (E_RNA)
where:
Base-Base interactions energy: -506.871
where: short stacking energy: -230.745
Base-Backbone interact. energy: 0.156
local terms energy: -329.863836
where:
bonds (distance) C4'-P energy: -70.059
bonds (distance) P-C4' energy: -78.785
flat angles C4'-P-C4' energy: -77.928
flat angles P-C4'-P energy: -49.119
tors. eta vs tors. theta energy: -53.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -697.265749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.265749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.265749 (E_RNA)
where:
Base-Base interactions energy: -410.970
where: short stacking energy: -195.134
Base-Backbone interact. energy: -0.235
local terms energy: -286.060902
where:
bonds (distance) C4'-P energy: -70.933
bonds (distance) P-C4' energy: -72.524
flat angles C4'-P-C4' energy: -61.445
flat angles P-C4'-P energy: -46.633
tors. eta vs tors. theta energy: -34.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -626.098068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.098068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.098068 (E_RNA)
where:
Base-Base interactions energy: -357.194
where: short stacking energy: -194.460
Base-Backbone interact. energy: 1.749
local terms energy: -270.652625
where:
bonds (distance) C4'-P energy: -60.536
bonds (distance) P-C4' energy: -75.089
flat angles C4'-P-C4' energy: -57.950
flat angles P-C4'-P energy: -41.678
tors. eta vs tors. theta energy: -35.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -352.195375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.195375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.195375 (E_RNA)
where:
Base-Base interactions energy: -141.222
where: short stacking energy: -89.617
Base-Backbone interact. energy: 1.220
local terms energy: -212.193179
where:
bonds (distance) C4'-P energy: -60.272
bonds (distance) P-C4' energy: -72.267
flat angles C4'-P-C4' energy: -53.523
flat angles P-C4'-P energy: -42.578
tors. eta vs tors. theta energy: 16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -301.858635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.858635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.858635 (E_RNA)
where:
Base-Base interactions energy: -116.134
where: short stacking energy: -80.274
Base-Backbone interact. energy: 0.808
local terms energy: -186.532257
where:
bonds (distance) C4'-P energy: -57.748
bonds (distance) P-C4' energy: -78.694
flat angles C4'-P-C4' energy: -49.067
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: 21.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1393.577232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.577232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.577232 (E_RNA)
where:
Base-Base interactions energy: -958.774
where: short stacking energy: -400.731
Base-Backbone interact. energy: -1.083
local terms energy: -433.720224
where:
bonds (distance) C4'-P energy: -77.478
bonds (distance) P-C4' energy: -76.904
flat angles C4'-P-C4' energy: -89.892
flat angles P-C4'-P energy: -68.951
tors. eta vs tors. theta energy: -120.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1296.252196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.252196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.252196 (E_RNA)
where:
Base-Base interactions energy: -877.859
where: short stacking energy: -382.022
Base-Backbone interact. energy: 0.334
local terms energy: -418.727766
where:
bonds (distance) C4'-P energy: -77.619
bonds (distance) P-C4' energy: -76.041
flat angles C4'-P-C4' energy: -81.082
flat angles P-C4'-P energy: -59.847
tors. eta vs tors. theta energy: -124.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1269.862690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.862690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.862690 (E_RNA)
where:
Base-Base interactions energy: -877.387
where: short stacking energy: -344.545
Base-Backbone interact. energy: -0.846
local terms energy: -391.629433
where:
bonds (distance) C4'-P energy: -74.396
bonds (distance) P-C4' energy: -77.388
flat angles C4'-P-C4' energy: -86.546
flat angles P-C4'-P energy: -59.554
tors. eta vs tors. theta energy: -93.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1142.830042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.830042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.830042 (E_RNA)
where:
Base-Base interactions energy: -768.436
where: short stacking energy: -316.366
Base-Backbone interact. energy: -1.093
local terms energy: -373.301552
where:
bonds (distance) C4'-P energy: -66.650
bonds (distance) P-C4' energy: -80.810
flat angles C4'-P-C4' energy: -85.415
flat angles P-C4'-P energy: -53.734
tors. eta vs tors. theta energy: -86.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -999.012273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.012273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.012273 (E_RNA)
where:
Base-Base interactions energy: -656.849
where: short stacking energy: -298.115
Base-Backbone interact. energy: -2.215
local terms energy: -339.947551
where:
bonds (distance) C4'-P energy: -68.080
bonds (distance) P-C4' energy: -70.864
flat angles C4'-P-C4' energy: -80.572
flat angles P-C4'-P energy: -44.165
tors. eta vs tors. theta energy: -76.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -881.213450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.213450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.213450 (E_RNA)
where:
Base-Base interactions energy: -558.650
where: short stacking energy: -245.286
Base-Backbone interact. energy: -1.618
local terms energy: -320.945963
where:
bonds (distance) C4'-P energy: -70.278
bonds (distance) P-C4' energy: -75.644
flat angles C4'-P-C4' energy: -69.287
flat angles P-C4'-P energy: -40.328
tors. eta vs tors. theta energy: -65.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -782.615137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.615137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.615137 (E_RNA)
where:
Base-Base interactions energy: -499.241
where: short stacking energy: -228.909
Base-Backbone interact. energy: 0.916
local terms energy: -284.290037
where:
bonds (distance) C4'-P energy: -62.354
bonds (distance) P-C4' energy: -74.588
flat angles C4'-P-C4' energy: -63.625
flat angles P-C4'-P energy: -36.170
tors. eta vs tors. theta energy: -47.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -626.250380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.250380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.250380 (E_RNA)
where:
Base-Base interactions energy: -329.899
where: short stacking energy: -169.802
Base-Backbone interact. energy: -0.423
local terms energy: -295.927765
where:
bonds (distance) C4'-P energy: -68.011
bonds (distance) P-C4' energy: -76.666
flat angles C4'-P-C4' energy: -73.439
flat angles P-C4'-P energy: -46.607
tors. eta vs tors. theta energy: -31.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -353.520859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.520859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.520859 (E_RNA)
where:
Base-Base interactions energy: -174.533
where: short stacking energy: -117.996
Base-Backbone interact. energy: -2.184
local terms energy: -176.803423
where:
bonds (distance) C4'-P energy: -52.359
bonds (distance) P-C4' energy: -76.537
flat angles C4'-P-C4' energy: -41.635
flat angles P-C4'-P energy: -26.576
tors. eta vs tors. theta energy: 20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -292.132485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.132485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.132485 (E_RNA)
where:
Base-Base interactions energy: -94.379
where: short stacking energy: -80.436
Base-Backbone interact. energy: 4.552
local terms energy: -202.305853
where:
bonds (distance) C4'-P energy: -67.015
bonds (distance) P-C4' energy: -67.412
flat angles C4'-P-C4' energy: -53.048
flat angles P-C4'-P energy: -26.563
tors. eta vs tors. theta energy: 11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1388.258904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.258904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.258904 (E_RNA)
where:
Base-Base interactions energy: -947.827
where: short stacking energy: -424.592
Base-Backbone interact. energy: -1.046
local terms energy: -439.386326
where:
bonds (distance) C4'-P energy: -76.984
bonds (distance) P-C4' energy: -74.839
flat angles C4'-P-C4' energy: -88.675
flat angles P-C4'-P energy: -63.654
tors. eta vs tors. theta energy: -135.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1298.094050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.094050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.094050 (E_RNA)
where:
Base-Base interactions energy: -894.268
where: short stacking energy: -351.701
Base-Backbone interact. energy: 2.279
local terms energy: -406.104909
where:
bonds (distance) C4'-P energy: -74.985
bonds (distance) P-C4' energy: -75.152
flat angles C4'-P-C4' energy: -83.175
flat angles P-C4'-P energy: -67.357
tors. eta vs tors. theta energy: -105.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1269.963540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.963540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.963540 (E_RNA)
where:
Base-Base interactions energy: -882.201
where: short stacking energy: -351.113
Base-Backbone interact. energy: -1.988
local terms energy: -385.774793
where:
bonds (distance) C4'-P energy: -66.991
bonds (distance) P-C4' energy: -76.204
flat angles C4'-P-C4' energy: -87.633
flat angles P-C4'-P energy: -55.555
tors. eta vs tors. theta energy: -99.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1159.041831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.041831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.041831 (E_RNA)
where:
Base-Base interactions energy: -795.813
where: short stacking energy: -331.052
Base-Backbone interact. energy: -2.208
local terms energy: -361.021391
where:
bonds (distance) C4'-P energy: -67.904
bonds (distance) P-C4' energy: -78.333
flat angles C4'-P-C4' energy: -76.023
flat angles P-C4'-P energy: -48.446
tors. eta vs tors. theta energy: -90.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1128.042695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.042695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.042695 (E_RNA)
where:
Base-Base interactions energy: -735.228
where: short stacking energy: -335.582
Base-Backbone interact. energy: -1.193
local terms energy: -391.622389
where:
bonds (distance) C4'-P energy: -70.255
bonds (distance) P-C4' energy: -72.777
flat angles C4'-P-C4' energy: -90.152
flat angles P-C4'-P energy: -59.348
tors. eta vs tors. theta energy: -99.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -886.214189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.214189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.214189 (E_RNA)
where:
Base-Base interactions energy: -565.632
where: short stacking energy: -251.879
Base-Backbone interact. energy: -0.962
local terms energy: -319.619447
where:
bonds (distance) C4'-P energy: -55.459
bonds (distance) P-C4' energy: -67.583
flat angles C4'-P-C4' energy: -76.200
flat angles P-C4'-P energy: -53.779
tors. eta vs tors. theta energy: -66.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -703.662147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.662147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.662147 (E_RNA)
where:
Base-Base interactions energy: -435.477
where: short stacking energy: -190.897
Base-Backbone interact. energy: 0.205
local terms energy: -268.390913
where:
bonds (distance) C4'-P energy: -60.484
bonds (distance) P-C4' energy: -72.719
flat angles C4'-P-C4' energy: -58.000
flat angles P-C4'-P energy: -41.540
tors. eta vs tors. theta energy: -35.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -584.486187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.486187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.486187 (E_RNA)
where:
Base-Base interactions energy: -324.684
where: short stacking energy: -186.796
Base-Backbone interact. energy: -2.719
local terms energy: -257.083651
where:
bonds (distance) C4'-P energy: -57.995
bonds (distance) P-C4' energy: -71.677
flat angles C4'-P-C4' energy: -60.885
flat angles P-C4'-P energy: -38.716
tors. eta vs tors. theta energy: -27.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -331.391485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.391485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.391485 (E_RNA)
where:
Base-Base interactions energy: -125.211
where: short stacking energy: -109.618
Base-Backbone interact. energy: 7.074
local terms energy: -213.254032
where:
bonds (distance) C4'-P energy: -55.690
bonds (distance) P-C4' energy: -70.020
flat angles C4'-P-C4' energy: -61.993
flat angles P-C4'-P energy: -26.235
tors. eta vs tors. theta energy: 0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -311.115922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.115922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.115922 (E_RNA)
where:
Base-Base interactions energy: -116.306
where: short stacking energy: -84.931
Base-Backbone interact. energy: -0.579
local terms energy: -194.231261
where:
bonds (distance) C4'-P energy: -69.704
bonds (distance) P-C4' energy: -65.020
flat angles C4'-P-C4' energy: -62.791
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: 20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1394.723618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.723618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.723618 (E_RNA)
where:
Base-Base interactions energy: -939.623
where: short stacking energy: -408.689
Base-Backbone interact. energy: -0.817
local terms energy: -454.283179
where:
bonds (distance) C4'-P energy: -82.646
bonds (distance) P-C4' energy: -92.020
flat angles C4'-P-C4' energy: -92.149
flat angles P-C4'-P energy: -60.730
tors. eta vs tors. theta energy: -126.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1343.604436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.604436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.604436 (E_RNA)
where:
Base-Base interactions energy: -916.364
where: short stacking energy: -391.212
Base-Backbone interact. energy: -4.881
local terms energy: -422.358814
where:
bonds (distance) C4'-P energy: -84.533
bonds (distance) P-C4' energy: -81.873
flat angles C4'-P-C4' energy: -90.563
flat angles P-C4'-P energy: -54.358
tors. eta vs tors. theta energy: -111.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1241.058820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.058820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.058820 (E_RNA)
where:
Base-Base interactions energy: -871.671
where: short stacking energy: -348.964
Base-Backbone interact. energy: -3.586
local terms energy: -365.802033
where:
bonds (distance) C4'-P energy: -71.470
bonds (distance) P-C4' energy: -70.531
flat angles C4'-P-C4' energy: -77.480
flat angles P-C4'-P energy: -43.045
tors. eta vs tors. theta energy: -103.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1142.722664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.722664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.722664 (E_RNA)
where:
Base-Base interactions energy: -756.961
where: short stacking energy: -330.690
Base-Backbone interact. energy: -0.418
local terms energy: -385.344539
where:
bonds (distance) C4'-P energy: -73.054
bonds (distance) P-C4' energy: -79.361
flat angles C4'-P-C4' energy: -83.950
flat angles P-C4'-P energy: -54.591
tors. eta vs tors. theta energy: -94.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1069.841793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.841793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.841793 (E_RNA)
where:
Base-Base interactions energy: -697.802
where: short stacking energy: -294.435
Base-Backbone interact. energy: 0.693
local terms energy: -372.732657
where:
bonds (distance) C4'-P energy: -85.047
bonds (distance) P-C4' energy: -69.037
flat angles C4'-P-C4' energy: -73.886
flat angles P-C4'-P energy: -55.388
tors. eta vs tors. theta energy: -89.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -853.816613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.816613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.816613 (E_RNA)
where:
Base-Base interactions energy: -523.430
where: short stacking energy: -244.303
Base-Backbone interact. energy: -0.608
local terms energy: -329.779349
where:
bonds (distance) C4'-P energy: -75.372
bonds (distance) P-C4' energy: -68.791
flat angles C4'-P-C4' energy: -72.781
flat angles P-C4'-P energy: -56.868
tors. eta vs tors. theta energy: -55.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -677.090984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.090984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.090984 (E_RNA)
where:
Base-Base interactions energy: -409.036
where: short stacking energy: -170.327
Base-Backbone interact. energy: -1.654
local terms energy: -266.400325
where:
bonds (distance) C4'-P energy: -76.607
bonds (distance) P-C4' energy: -71.936
flat angles C4'-P-C4' energy: -71.932
flat angles P-C4'-P energy: -31.466
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -585.872725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.872725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.872725 (E_RNA)
where:
Base-Base interactions energy: -325.056
where: short stacking energy: -172.804
Base-Backbone interact. energy: -1.658
local terms energy: -259.158891
where:
bonds (distance) C4'-P energy: -73.361
bonds (distance) P-C4' energy: -69.044
flat angles C4'-P-C4' energy: -58.573
flat angles P-C4'-P energy: -43.558
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -333.291894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.291894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.291894 (E_RNA)
where:
Base-Base interactions energy: -118.355
where: short stacking energy: -94.266
Base-Backbone interact. energy: 0.361
local terms energy: -215.297284
where:
bonds (distance) C4'-P energy: -64.722
bonds (distance) P-C4' energy: -79.295
flat angles C4'-P-C4' energy: -50.939
flat angles P-C4'-P energy: -27.108
tors. eta vs tors. theta energy: 6.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -310.107743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.107743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.107743 (E_RNA)
where:
Base-Base interactions energy: -89.560
where: short stacking energy: -78.569
Base-Backbone interact. energy: -1.476
local terms energy: -219.071748
where:
bonds (distance) C4'-P energy: -76.906
bonds (distance) P-C4' energy: -57.769
flat angles C4'-P-C4' energy: -55.324
flat angles P-C4'-P energy: -34.893
tors. eta vs tors. theta energy: 5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1392.473678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.473678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.473678 (E_RNA)
where:
Base-Base interactions energy: -960.737
where: short stacking energy: -414.828
Base-Backbone interact. energy: -0.835
local terms energy: -430.902211
where:
bonds (distance) C4'-P energy: -76.851
bonds (distance) P-C4' energy: -78.668
flat angles C4'-P-C4' energy: -92.787
flat angles P-C4'-P energy: -59.844
tors. eta vs tors. theta energy: -122.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1321.206102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.206102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.206102 (E_RNA)
where:
Base-Base interactions energy: -898.676
where: short stacking energy: -373.069
Base-Backbone interact. energy: 1.051
local terms energy: -423.581096
where:
bonds (distance) C4'-P energy: -74.382
bonds (distance) P-C4' energy: -87.769
flat angles C4'-P-C4' energy: -89.093
flat angles P-C4'-P energy: -59.017
tors. eta vs tors. theta energy: -113.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1206.419214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.419214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.419214 (E_RNA)
where:
Base-Base interactions energy: -819.721
where: short stacking energy: -341.420
Base-Backbone interact. energy: -0.131
local terms energy: -386.567577
where:
bonds (distance) C4'-P energy: -76.637
bonds (distance) P-C4' energy: -77.591
flat angles C4'-P-C4' energy: -74.106
flat angles P-C4'-P energy: -55.682
tors. eta vs tors. theta energy: -102.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1217.301617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.301617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.301617 (E_RNA)
where:
Base-Base interactions energy: -838.720
where: short stacking energy: -331.075
Base-Backbone interact. energy: -3.398
local terms energy: -375.183155
where:
bonds (distance) C4'-P energy: -70.358
bonds (distance) P-C4' energy: -73.217
flat angles C4'-P-C4' energy: -81.462
flat angles P-C4'-P energy: -52.671
tors. eta vs tors. theta energy: -97.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1102.755476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.755476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.755476 (E_RNA)
where:
Base-Base interactions energy: -738.880
where: short stacking energy: -320.440
Base-Backbone interact. energy: -2.678
local terms energy: -361.197180
where:
bonds (distance) C4'-P energy: -80.244
bonds (distance) P-C4' energy: -70.424
flat angles C4'-P-C4' energy: -68.988
flat angles P-C4'-P energy: -42.460
tors. eta vs tors. theta energy: -99.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -867.620140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.620140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.620140 (E_RNA)
where:
Base-Base interactions energy: -532.591
where: short stacking energy: -251.436
Base-Backbone interact. energy: -2.234
local terms energy: -332.794802
where:
bonds (distance) C4'-P energy: -73.175
bonds (distance) P-C4' energy: -76.326
flat angles C4'-P-C4' energy: -78.513
flat angles P-C4'-P energy: -45.758
tors. eta vs tors. theta energy: -59.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -787.622791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.622791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.622791 (E_RNA)
where:
Base-Base interactions energy: -505.962
where: short stacking energy: -215.578
Base-Backbone interact. energy: 1.115
local terms energy: -282.775442
where:
bonds (distance) C4'-P energy: -63.846
bonds (distance) P-C4' energy: -66.189
flat angles C4'-P-C4' energy: -72.162
flat angles P-C4'-P energy: -40.000
tors. eta vs tors. theta energy: -40.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -606.362336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.362336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.362336 (E_RNA)
where:
Base-Base interactions energy: -327.579
where: short stacking energy: -180.605
Base-Backbone interact. energy: -0.213
local terms energy: -278.570115
where:
bonds (distance) C4'-P energy: -71.554
bonds (distance) P-C4' energy: -70.451
flat angles C4'-P-C4' energy: -67.388
flat angles P-C4'-P energy: -36.631
tors. eta vs tors. theta energy: -32.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -334.166176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.166176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.166176 (E_RNA)
where:
Base-Base interactions energy: -119.323
where: short stacking energy: -104.080
Base-Backbone interact. energy: -1.664
local terms energy: -213.178930
where:
bonds (distance) C4'-P energy: -41.625
bonds (distance) P-C4' energy: -76.909
flat angles C4'-P-C4' energy: -65.917
flat angles P-C4'-P energy: -32.144
tors. eta vs tors. theta energy: 3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -343.427243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.427243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.427243 (E_RNA)
where:
Base-Base interactions energy: -148.758
where: short stacking energy: -110.379
Base-Backbone interact. energy: -1.779
local terms energy: -192.890464
where:
bonds (distance) C4'-P energy: -49.518
bonds (distance) P-C4' energy: -87.845
flat angles C4'-P-C4' energy: -41.521
flat angles P-C4'-P energy: -32.291
tors. eta vs tors. theta energy: 18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1381.313352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.313352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.313352 (E_RNA)
where:
Base-Base interactions energy: -949.292
where: short stacking energy: -413.325
Base-Backbone interact. energy: -1.529
local terms energy: -430.492603
where:
bonds (distance) C4'-P energy: -73.843
bonds (distance) P-C4' energy: -79.437
flat angles C4'-P-C4' energy: -93.894
flat angles P-C4'-P energy: -54.458
tors. eta vs tors. theta energy: -128.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1295.445819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.445819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.445819 (E_RNA)
where:
Base-Base interactions energy: -879.027
where: short stacking energy: -386.904
Base-Backbone interact. energy: -2.020
local terms energy: -414.399262
where:
bonds (distance) C4'-P energy: -86.106
bonds (distance) P-C4' energy: -72.873
flat angles C4'-P-C4' energy: -77.861
flat angles P-C4'-P energy: -53.823
tors. eta vs tors. theta energy: -123.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1220.819609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.819609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.819609 (E_RNA)
where:
Base-Base interactions energy: -801.313
where: short stacking energy: -355.067
Base-Backbone interact. energy: 0.854
local terms energy: -420.360800
where:
bonds (distance) C4'-P energy: -77.358
bonds (distance) P-C4' energy: -83.153
flat angles C4'-P-C4' energy: -96.389
flat angles P-C4'-P energy: -58.086
tors. eta vs tors. theta energy: -105.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1194.130553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.130553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.130553 (E_RNA)
where:
Base-Base interactions energy: -838.283
where: short stacking energy: -332.254
Base-Backbone interact. energy: 0.410
local terms energy: -356.257805
where:
bonds (distance) C4'-P energy: -64.714
bonds (distance) P-C4' energy: -76.764
flat angles C4'-P-C4' energy: -83.769
flat angles P-C4'-P energy: -44.416
tors. eta vs tors. theta energy: -86.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1065.120898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.120898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.120898 (E_RNA)
where:
Base-Base interactions energy: -705.322
where: short stacking energy: -322.661
Base-Backbone interact. energy: -3.425
local terms energy: -356.373929
where:
bonds (distance) C4'-P energy: -65.569
bonds (distance) P-C4' energy: -72.437
flat angles C4'-P-C4' energy: -76.222
flat angles P-C4'-P energy: -43.755
tors. eta vs tors. theta energy: -98.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -864.459964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.459964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.459964 (E_RNA)
where:
Base-Base interactions energy: -542.234
where: short stacking energy: -234.580
Base-Backbone interact. energy: -3.882
local terms energy: -318.343838
where:
bonds (distance) C4'-P energy: -63.202
bonds (distance) P-C4' energy: -77.805
flat angles C4'-P-C4' energy: -80.634
flat angles P-C4'-P energy: -47.720
tors. eta vs tors. theta energy: -48.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -761.124804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.124804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.124804 (E_RNA)
where:
Base-Base interactions energy: -496.967
where: short stacking energy: -222.540
Base-Backbone interact. energy: 2.576
local terms energy: -266.733657
where:
bonds (distance) C4'-P energy: -56.696
bonds (distance) P-C4' energy: -64.684
flat angles C4'-P-C4' energy: -62.493
flat angles P-C4'-P energy: -33.153
tors. eta vs tors. theta energy: -49.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -627.250283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.250283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.250283 (E_RNA)
where:
Base-Base interactions energy: -344.331
where: short stacking energy: -183.404
Base-Backbone interact. energy: -2.769
local terms energy: -280.151049
where:
bonds (distance) C4'-P energy: -82.122
bonds (distance) P-C4' energy: -57.969
flat angles C4'-P-C4' energy: -65.038
flat angles P-C4'-P energy: -38.853
tors. eta vs tors. theta energy: -36.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -340.061976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.061976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.061976 (E_RNA)
where:
Base-Base interactions energy: -137.203
where: short stacking energy: -103.881
Base-Backbone interact. energy: -0.438
local terms energy: -202.421485
where:
bonds (distance) C4'-P energy: -62.554
bonds (distance) P-C4' energy: -69.589
flat angles C4'-P-C4' energy: -43.905
flat angles P-C4'-P energy: -29.332
tors. eta vs tors. theta energy: 2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -327.893891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.893891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.893891 (E_RNA)
where:
Base-Base interactions energy: -120.249
where: short stacking energy: -85.948
Base-Backbone interact. energy: -0.106
local terms energy: -207.538703
where:
bonds (distance) C4'-P energy: -64.290
bonds (distance) P-C4' energy: -67.523
flat angles C4'-P-C4' energy: -61.378
flat angles P-C4'-P energy: -30.873
tors. eta vs tors. theta energy: 16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1387.246397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.246397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.246397 (E_RNA)
where:
Base-Base interactions energy: -944.167
where: short stacking energy: -405.030
Base-Backbone interact. energy: -1.072
local terms energy: -442.006767
where:
bonds (distance) C4'-P energy: -80.113
bonds (distance) P-C4' energy: -83.312
flat angles C4'-P-C4' energy: -86.273
flat angles P-C4'-P energy: -62.678
tors. eta vs tors. theta energy: -129.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1333.561787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.561787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.561787 (E_RNA)
where:
Base-Base interactions energy: -921.063
where: short stacking energy: -384.714
Base-Backbone interact. energy: -1.581
local terms energy: -410.917753
where:
bonds (distance) C4'-P energy: -80.514
bonds (distance) P-C4' energy: -69.830
flat angles C4'-P-C4' energy: -80.363
flat angles P-C4'-P energy: -56.688
tors. eta vs tors. theta energy: -123.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1239.862433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.862433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.862433 (E_RNA)
where:
Base-Base interactions energy: -864.943
where: short stacking energy: -353.780
Base-Backbone interact. energy: -1.184
local terms energy: -373.735949
where:
bonds (distance) C4'-P energy: -71.498
bonds (distance) P-C4' energy: -68.318
flat angles C4'-P-C4' energy: -90.523
flat angles P-C4'-P energy: -50.058
tors. eta vs tors. theta energy: -93.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1182.912403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.912403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.912403 (E_RNA)
where:
Base-Base interactions energy: -803.667
where: short stacking energy: -334.309
Base-Backbone interact. energy: -1.190
local terms energy: -378.055290
where:
bonds (distance) C4'-P energy: -75.026
bonds (distance) P-C4' energy: -70.180
flat angles C4'-P-C4' energy: -83.625
flat angles P-C4'-P energy: -51.433
tors. eta vs tors. theta energy: -97.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1030.290228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.290228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.290228 (E_RNA)
where:
Base-Base interactions energy: -662.727
where: short stacking energy: -290.927
Base-Backbone interact. energy: 0.707
local terms energy: -368.269845
where:
bonds (distance) C4'-P energy: -76.742
bonds (distance) P-C4' energy: -77.380
flat angles C4'-P-C4' energy: -81.928
flat angles P-C4'-P energy: -46.537
tors. eta vs tors. theta energy: -85.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -904.722338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.722338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.722338 (E_RNA)
where:
Base-Base interactions energy: -589.408
where: short stacking energy: -237.801
Base-Backbone interact. energy: 0.566
local terms energy: -315.881031
where:
bonds (distance) C4'-P energy: -61.431
bonds (distance) P-C4' energy: -77.204
flat angles C4'-P-C4' energy: -71.532
flat angles P-C4'-P energy: -52.637
tors. eta vs tors. theta energy: -53.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -766.065183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.065183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.065183 (E_RNA)
where:
Base-Base interactions energy: -472.222
where: short stacking energy: -210.815
Base-Backbone interact. energy: -0.143
local terms energy: -293.700771
where:
bonds (distance) C4'-P energy: -54.742
bonds (distance) P-C4' energy: -74.462
flat angles C4'-P-C4' energy: -67.245
flat angles P-C4'-P energy: -45.729
tors. eta vs tors. theta energy: -51.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -592.626645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.626645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.626645 (E_RNA)
where:
Base-Base interactions energy: -346.103
where: short stacking energy: -168.348
Base-Backbone interact. energy: 1.094
local terms energy: -247.616751
where:
bonds (distance) C4'-P energy: -64.582
bonds (distance) P-C4' energy: -62.760
flat angles C4'-P-C4' energy: -58.845
flat angles P-C4'-P energy: -35.872
tors. eta vs tors. theta energy: -25.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -369.240602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.240602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.240602 (E_RNA)
where:
Base-Base interactions energy: -141.421
where: short stacking energy: -102.055
Base-Backbone interact. energy: 0.620
local terms energy: -228.439438
where:
bonds (distance) C4'-P energy: -69.296
bonds (distance) P-C4' energy: -63.857
flat angles C4'-P-C4' energy: -63.949
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: 2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -320.407643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.407643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.407643 (E_RNA)
where:
Base-Base interactions energy: -113.181
where: short stacking energy: -92.531
Base-Backbone interact. energy: 1.883
local terms energy: -209.109081
where:
bonds (distance) C4'-P energy: -65.798
bonds (distance) P-C4' energy: -67.635
flat angles C4'-P-C4' energy: -59.697
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: 17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1393.137337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.137337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.137337 (E_RNA)
where:
Base-Base interactions energy: -957.341
where: short stacking energy: -401.129
Base-Backbone interact. energy: 0.618
local terms energy: -436.414394
where:
bonds (distance) C4'-P energy: -72.200
bonds (distance) P-C4' energy: -74.633
flat angles C4'-P-C4' energy: -100.903
flat angles P-C4'-P energy: -65.696
tors. eta vs tors. theta energy: -122.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1278.256958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.256958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.256958 (E_RNA)
where:
Base-Base interactions energy: -881.733
where: short stacking energy: -371.799
Base-Backbone interact. energy: 0.047
local terms energy: -396.571265
where:
bonds (distance) C4'-P energy: -85.059
bonds (distance) P-C4' energy: -63.967
flat angles C4'-P-C4' energy: -77.160
flat angles P-C4'-P energy: -61.957
tors. eta vs tors. theta energy: -108.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1221.881055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.881055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.881055 (E_RNA)
where:
Base-Base interactions energy: -842.755
where: short stacking energy: -332.856
Base-Backbone interact. energy: -2.786
local terms energy: -376.340713
where:
bonds (distance) C4'-P energy: -72.487
bonds (distance) P-C4' energy: -71.788
flat angles C4'-P-C4' energy: -88.363
flat angles P-C4'-P energy: -49.524
tors. eta vs tors. theta energy: -94.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1175.016004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.016004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.016004 (E_RNA)
where:
Base-Base interactions energy: -801.757
where: short stacking energy: -320.883
Base-Backbone interact. energy: 1.456
local terms energy: -374.715658
where:
bonds (distance) C4'-P energy: -76.748
bonds (distance) P-C4' energy: -59.800
flat angles C4'-P-C4' energy: -79.485
flat angles P-C4'-P energy: -57.588
tors. eta vs tors. theta energy: -101.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -988.243373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.243373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.243373 (E_RNA)
where:
Base-Base interactions energy: -632.306
where: short stacking energy: -304.580
Base-Backbone interact. energy: -1.405
local terms energy: -354.532101
where:
bonds (distance) C4'-P energy: -67.049
bonds (distance) P-C4' energy: -69.971
flat angles C4'-P-C4' energy: -81.185
flat angles P-C4'-P energy: -50.634
tors. eta vs tors. theta energy: -85.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -934.411458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.411458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.411458 (E_RNA)
where:
Base-Base interactions energy: -604.012
where: short stacking energy: -263.404
Base-Backbone interact. energy: 1.002
local terms energy: -331.400992
where:
bonds (distance) C4'-P energy: -63.902
bonds (distance) P-C4' energy: -77.804
flat angles C4'-P-C4' energy: -76.581
flat angles P-C4'-P energy: -45.911
tors. eta vs tors. theta energy: -67.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -733.430405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.430405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.430405 (E_RNA)
where:
Base-Base interactions energy: -444.786
where: short stacking energy: -205.459
Base-Backbone interact. energy: 1.710
local terms energy: -290.354896
where:
bonds (distance) C4'-P energy: -66.900
bonds (distance) P-C4' energy: -86.194
flat angles C4'-P-C4' energy: -64.866
flat angles P-C4'-P energy: -34.769
tors. eta vs tors. theta energy: -37.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -599.900993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.900993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.900993 (E_RNA)
where:
Base-Base interactions energy: -340.704
where: short stacking energy: -168.724
Base-Backbone interact. energy: -1.683
local terms energy: -257.514001
where:
bonds (distance) C4'-P energy: -60.154
bonds (distance) P-C4' energy: -68.648
flat angles C4'-P-C4' energy: -60.342
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -31.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -349.263048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.263048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.263048 (E_RNA)
where:
Base-Base interactions energy: -125.514
where: short stacking energy: -106.519
Base-Backbone interact. energy: 1.983
local terms energy: -225.731419
where:
bonds (distance) C4'-P energy: -61.669
bonds (distance) P-C4' energy: -76.901
flat angles C4'-P-C4' energy: -41.061
flat angles P-C4'-P energy: -36.318
tors. eta vs tors. theta energy: -9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -324.367411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.367411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.367411 (E_RNA)
where:
Base-Base interactions energy: -113.153
where: short stacking energy: -78.548
Base-Backbone interact. energy: -1.986
local terms energy: -209.228711
where:
bonds (distance) C4'-P energy: -73.049
bonds (distance) P-C4' energy: -69.499
flat angles C4'-P-C4' energy: -57.903
flat angles P-C4'-P energy: -32.402
tors. eta vs tors. theta energy: 23.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1418.948227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.948227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.948227 (E_RNA)
where:
Base-Base interactions energy: -990.704
where: short stacking energy: -429.356
Base-Backbone interact. energy: -0.646
local terms energy: -427.598595
where:
bonds (distance) C4'-P energy: -74.733
bonds (distance) P-C4' energy: -79.634
flat angles C4'-P-C4' energy: -85.878
flat angles P-C4'-P energy: -56.619
tors. eta vs tors. theta energy: -130.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1290.922550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.922550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.922550 (E_RNA)
where:
Base-Base interactions energy: -873.542
where: short stacking energy: -380.465
Base-Backbone interact. energy: -0.924
local terms energy: -416.456874
where:
bonds (distance) C4'-P energy: -79.377
bonds (distance) P-C4' energy: -83.707
flat angles C4'-P-C4' energy: -79.144
flat angles P-C4'-P energy: -58.162
tors. eta vs tors. theta energy: -116.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1226.876733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.876733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.876733 (E_RNA)
where:
Base-Base interactions energy: -834.101
where: short stacking energy: -310.034
Base-Backbone interact. energy: -0.465
local terms energy: -392.310886
where:
bonds (distance) C4'-P energy: -77.419
bonds (distance) P-C4' energy: -75.452
flat angles C4'-P-C4' energy: -80.052
flat angles P-C4'-P energy: -53.657
tors. eta vs tors. theta energy: -105.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1137.650708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.650708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.650708 (E_RNA)
where:
Base-Base interactions energy: -772.296
where: short stacking energy: -331.941
Base-Backbone interact. energy: -2.400
local terms energy: -362.954623
where:
bonds (distance) C4'-P energy: -73.101
bonds (distance) P-C4' energy: -68.340
flat angles C4'-P-C4' energy: -82.507
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: -100.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1028.626335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.626335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.626335 (E_RNA)
where:
Base-Base interactions energy: -665.191
where: short stacking energy: -290.575
Base-Backbone interact. energy: -0.763
local terms energy: -362.672247
where:
bonds (distance) C4'-P energy: -55.211
bonds (distance) P-C4' energy: -74.530
flat angles C4'-P-C4' energy: -86.972
flat angles P-C4'-P energy: -65.121
tors. eta vs tors. theta energy: -80.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -910.218349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.218349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.218349 (E_RNA)
where:
Base-Base interactions energy: -586.300
where: short stacking energy: -245.547
Base-Backbone interact. energy: -3.429
local terms energy: -320.488772
where:
bonds (distance) C4'-P energy: -63.929
bonds (distance) P-C4' energy: -69.214
flat angles C4'-P-C4' energy: -81.989
flat angles P-C4'-P energy: -48.272
tors. eta vs tors. theta energy: -57.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -735.030846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.030846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.030846 (E_RNA)
where:
Base-Base interactions energy: -433.959
where: short stacking energy: -202.912
Base-Backbone interact. energy: -2.115
local terms energy: -298.956847
where:
bonds (distance) C4'-P energy: -74.155
bonds (distance) P-C4' energy: -82.693
flat angles C4'-P-C4' energy: -62.837
flat angles P-C4'-P energy: -45.431
tors. eta vs tors. theta energy: -33.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -607.487860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.487860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.487860 (E_RNA)
where:
Base-Base interactions energy: -317.402
where: short stacking energy: -157.379
Base-Backbone interact. energy: 0.433
local terms energy: -290.518533
where:
bonds (distance) C4'-P energy: -67.929
bonds (distance) P-C4' energy: -72.405
flat angles C4'-P-C4' energy: -62.407
flat angles P-C4'-P energy: -57.365
tors. eta vs tors. theta energy: -30.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -353.023894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.023894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.023894 (E_RNA)
where:
Base-Base interactions energy: -130.941
where: short stacking energy: -78.993
Base-Backbone interact. energy: -1.150
local terms energy: -220.932038
where:
bonds (distance) C4'-P energy: -61.793
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -58.743
flat angles P-C4'-P energy: -47.145
tors. eta vs tors. theta energy: 10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -327.692351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.692351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.692351 (E_RNA)
where:
Base-Base interactions energy: -81.617
where: short stacking energy: -76.196
Base-Backbone interact. energy: -0.059
local terms energy: -246.016121
where:
bonds (distance) C4'-P energy: -71.757
bonds (distance) P-C4' energy: -82.581
flat angles C4'-P-C4' energy: -63.510
flat angles P-C4'-P energy: -44.974
tors. eta vs tors. theta energy: 16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1395.815759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.815759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.815759 (E_RNA)
where:
Base-Base interactions energy: -961.948
where: short stacking energy: -408.313
Base-Backbone interact. energy: -0.359
local terms energy: -433.509485
where:
bonds (distance) C4'-P energy: -78.152
bonds (distance) P-C4' energy: -76.564
flat angles C4'-P-C4' energy: -90.240
flat angles P-C4'-P energy: -65.551
tors. eta vs tors. theta energy: -123.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1289.604740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.604740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.604740 (E_RNA)
where:
Base-Base interactions energy: -865.168
where: short stacking energy: -386.019
Base-Backbone interact. energy: 0.731
local terms energy: -425.166991
where:
bonds (distance) C4'-P energy: -80.454
bonds (distance) P-C4' energy: -79.829
flat angles C4'-P-C4' energy: -86.007
flat angles P-C4'-P energy: -51.542
tors. eta vs tors. theta energy: -127.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1257.088497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.088497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.088497 (E_RNA)
where:
Base-Base interactions energy: -844.504
where: short stacking energy: -329.690
Base-Backbone interact. energy: -2.591
local terms energy: -409.993697
where:
bonds (distance) C4'-P energy: -78.632
bonds (distance) P-C4' energy: -82.219
flat angles C4'-P-C4' energy: -92.675
flat angles P-C4'-P energy: -60.352
tors. eta vs tors. theta energy: -96.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1192.334842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.334842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.334842 (E_RNA)
where:
Base-Base interactions energy: -807.652
where: short stacking energy: -348.196
Base-Backbone interact. energy: -3.601
local terms energy: -381.081510
where:
bonds (distance) C4'-P energy: -66.610
bonds (distance) P-C4' energy: -74.976
flat angles C4'-P-C4' energy: -79.199
flat angles P-C4'-P energy: -62.740
tors. eta vs tors. theta energy: -97.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1055.167016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.167016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.167016 (E_RNA)
where:
Base-Base interactions energy: -704.586
where: short stacking energy: -315.742
Base-Backbone interact. energy: -3.196
local terms energy: -347.384808
where:
bonds (distance) C4'-P energy: -68.774
bonds (distance) P-C4' energy: -74.759
flat angles C4'-P-C4' energy: -67.580
flat angles P-C4'-P energy: -52.037
tors. eta vs tors. theta energy: -84.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -874.926978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.926978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.926978 (E_RNA)
where:
Base-Base interactions energy: -558.363
where: short stacking energy: -237.323
Base-Backbone interact. energy: -4.383
local terms energy: -312.181453
where:
bonds (distance) C4'-P energy: -70.964
bonds (distance) P-C4' energy: -66.338
flat angles C4'-P-C4' energy: -71.668
flat angles P-C4'-P energy: -56.414
tors. eta vs tors. theta energy: -46.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -722.974926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.974926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.974926 (E_RNA)
where:
Base-Base interactions energy: -415.797
where: short stacking energy: -214.449
Base-Backbone interact. energy: -0.222
local terms energy: -306.956210
where:
bonds (distance) C4'-P energy: -69.743
bonds (distance) P-C4' energy: -74.163
flat angles C4'-P-C4' energy: -75.656
flat angles P-C4'-P energy: -43.275
tors. eta vs tors. theta energy: -44.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -576.034094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.034094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.034094 (E_RNA)
where:
Base-Base interactions energy: -317.827
where: short stacking energy: -157.619
Base-Backbone interact. energy: -1.238
local terms energy: -256.968962
where:
bonds (distance) C4'-P energy: -57.919
bonds (distance) P-C4' energy: -64.774
flat angles C4'-P-C4' energy: -67.300
flat angles P-C4'-P energy: -43.200
tors. eta vs tors. theta energy: -23.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -342.931265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.931265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.931265 (E_RNA)
where:
Base-Base interactions energy: -143.732
where: short stacking energy: -101.148
Base-Backbone interact. energy: 1.840
local terms energy: -201.038998
where:
bonds (distance) C4'-P energy: -65.623
bonds (distance) P-C4' energy: -63.538
flat angles C4'-P-C4' energy: -48.985
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: 8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -317.714060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.714060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.714060 (E_RNA)
where:
Base-Base interactions energy: -122.062
where: short stacking energy: -84.849
Base-Backbone interact. energy: 0.366
local terms energy: -196.017829
where:
bonds (distance) C4'-P energy: -62.741
bonds (distance) P-C4' energy: -72.207
flat angles C4'-P-C4' energy: -53.894
flat angles P-C4'-P energy: -22.985
tors. eta vs tors. theta energy: 15.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1389.229294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.229294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.229294 (E_RNA)
where:
Base-Base interactions energy: -947.624
where: short stacking energy: -388.899
Base-Backbone interact. energy: 0.016
local terms energy: -441.621484
where:
bonds (distance) C4'-P energy: -77.111
bonds (distance) P-C4' energy: -85.578
flat angles C4'-P-C4' energy: -89.179
flat angles P-C4'-P energy: -63.076
tors. eta vs tors. theta energy: -126.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1294.688661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.688661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.688661 (E_RNA)
where:
Base-Base interactions energy: -882.333
where: short stacking energy: -371.959
Base-Backbone interact. energy: -1.121
local terms energy: -411.234675
where:
bonds (distance) C4'-P energy: -73.841
bonds (distance) P-C4' energy: -78.485
flat angles C4'-P-C4' energy: -96.933
flat angles P-C4'-P energy: -54.477
tors. eta vs tors. theta energy: -107.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1249.185030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.185030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.185030 (E_RNA)
where:
Base-Base interactions energy: -860.967
where: short stacking energy: -350.272
Base-Backbone interact. energy: -1.303
local terms energy: -386.914654
where:
bonds (distance) C4'-P energy: -70.874
bonds (distance) P-C4' energy: -93.556
flat angles C4'-P-C4' energy: -74.902
flat angles P-C4'-P energy: -48.112
tors. eta vs tors. theta energy: -99.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1230.347922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.347922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.347922 (E_RNA)
where:
Base-Base interactions energy: -848.238
where: short stacking energy: -342.855
Base-Backbone interact. energy: -3.921
local terms energy: -378.189509
where:
bonds (distance) C4'-P energy: -64.512
bonds (distance) P-C4' energy: -75.787
flat angles C4'-P-C4' energy: -81.736
flat angles P-C4'-P energy: -55.644
tors. eta vs tors. theta energy: -100.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1057.400506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.400506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.400506 (E_RNA)
where:
Base-Base interactions energy: -699.414
where: short stacking energy: -293.646
Base-Backbone interact. energy: -2.002
local terms energy: -355.984615
where:
bonds (distance) C4'-P energy: -76.508
bonds (distance) P-C4' energy: -64.376
flat angles C4'-P-C4' energy: -73.132
flat angles P-C4'-P energy: -54.420
tors. eta vs tors. theta energy: -87.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -909.094220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.094220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.094220 (E_RNA)
where:
Base-Base interactions energy: -596.731
where: short stacking energy: -267.267
Base-Backbone interact. energy: -1.400
local terms energy: -310.962497
where:
bonds (distance) C4'-P energy: -72.288
bonds (distance) P-C4' energy: -67.228
flat angles C4'-P-C4' energy: -67.167
flat angles P-C4'-P energy: -47.394
tors. eta vs tors. theta energy: -56.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -724.074585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.074585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.074585 (E_RNA)
where:
Base-Base interactions energy: -447.467
where: short stacking energy: -211.731
Base-Backbone interact. energy: -1.309
local terms energy: -275.298855
where:
bonds (distance) C4'-P energy: -66.879
bonds (distance) P-C4' energy: -69.637
flat angles C4'-P-C4' energy: -58.367
flat angles P-C4'-P energy: -33.023
tors. eta vs tors. theta energy: -47.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -588.791035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.791035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.791035 (E_RNA)
where:
Base-Base interactions energy: -331.794
where: short stacking energy: -163.979
Base-Backbone interact. energy: -2.668
local terms energy: -254.328813
where:
bonds (distance) C4'-P energy: -67.971
bonds (distance) P-C4' energy: -56.516
flat angles C4'-P-C4' energy: -71.710
flat angles P-C4'-P energy: -31.671
tors. eta vs tors. theta energy: -26.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -341.661586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.661586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.661586 (E_RNA)
where:
Base-Base interactions energy: -116.560
where: short stacking energy: -109.221
Base-Backbone interact. energy: 0.143
local terms energy: -225.244527
where:
bonds (distance) C4'-P energy: -59.426
bonds (distance) P-C4' energy: -73.269
flat angles C4'-P-C4' energy: -57.178
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: 10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -308.205201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.205201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.205201 (E_RNA)
where:
Base-Base interactions energy: -89.478
where: short stacking energy: -76.808
Base-Backbone interact. energy: -2.082
local terms energy: -216.645625
where:
bonds (distance) C4'-P energy: -60.846
bonds (distance) P-C4' energy: -78.344
flat angles C4'-P-C4' energy: -66.976
flat angles P-C4'-P energy: -21.987
tors. eta vs tors. theta energy: 11.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1403.467252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.467252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.467252 (E_RNA)
where:
Base-Base interactions energy: -984.759
where: short stacking energy: -400.404
Base-Backbone interact. energy: -1.900
local terms energy: -416.808062
where:
bonds (distance) C4'-P energy: -67.946
bonds (distance) P-C4' energy: -70.905
flat angles C4'-P-C4' energy: -86.815
flat angles P-C4'-P energy: -66.106
tors. eta vs tors. theta energy: -125.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1298.883337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.883337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.883337 (E_RNA)
where:
Base-Base interactions energy: -869.132
where: short stacking energy: -381.359
Base-Backbone interact. energy: -0.957
local terms energy: -428.795221
where:
bonds (distance) C4'-P energy: -79.051
bonds (distance) P-C4' energy: -84.433
flat angles C4'-P-C4' energy: -90.258
flat angles P-C4'-P energy: -67.168
tors. eta vs tors. theta energy: -107.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1269.627755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.627755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.627755 (E_RNA)
where:
Base-Base interactions energy: -897.266
where: short stacking energy: -358.293
Base-Backbone interact. energy: -0.663
local terms energy: -371.698854
where:
bonds (distance) C4'-P energy: -75.372
bonds (distance) P-C4' energy: -65.995
flat angles C4'-P-C4' energy: -79.120
flat angles P-C4'-P energy: -48.410
tors. eta vs tors. theta energy: -102.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1194.308315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.308315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.308315 (E_RNA)
where:
Base-Base interactions energy: -801.740
where: short stacking energy: -326.057
Base-Backbone interact. energy: -0.937
local terms energy: -391.631059
where:
bonds (distance) C4'-P energy: -71.433
bonds (distance) P-C4' energy: -80.026
flat angles C4'-P-C4' energy: -85.364
flat angles P-C4'-P energy: -54.180
tors. eta vs tors. theta energy: -100.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1020.055186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.055186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.055186 (E_RNA)
where:
Base-Base interactions energy: -662.466
where: short stacking energy: -299.402
Base-Backbone interact. energy: -1.797
local terms energy: -355.792162
where:
bonds (distance) C4'-P energy: -68.995
bonds (distance) P-C4' energy: -76.296
flat angles C4'-P-C4' energy: -67.425
flat angles P-C4'-P energy: -52.274
tors. eta vs tors. theta energy: -90.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -920.342964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.342964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.342964 (E_RNA)
where:
Base-Base interactions energy: -608.891
where: short stacking energy: -280.115
Base-Backbone interact. energy: -0.963
local terms energy: -310.488889
where:
bonds (distance) C4'-P energy: -66.126
bonds (distance) P-C4' energy: -67.824
flat angles C4'-P-C4' energy: -71.224
flat angles P-C4'-P energy: -39.431
tors. eta vs tors. theta energy: -65.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -705.513626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.513626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.513626 (E_RNA)
where:
Base-Base interactions energy: -422.924
where: short stacking energy: -222.126
Base-Backbone interact. energy: -2.072
local terms energy: -280.517785
where:
bonds (distance) C4'-P energy: -63.723
bonds (distance) P-C4' energy: -59.102
flat angles C4'-P-C4' energy: -66.115
flat angles P-C4'-P energy: -44.790
tors. eta vs tors. theta energy: -46.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -531.449416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.449416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.449416 (E_RNA)
where:
Base-Base interactions energy: -287.666
where: short stacking energy: -156.015
Base-Backbone interact. energy: -1.439
local terms energy: -242.344393
where:
bonds (distance) C4'-P energy: -69.974
bonds (distance) P-C4' energy: -78.305
flat angles C4'-P-C4' energy: -54.858
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -366.796491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.796491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.796491 (E_RNA)
where:
Base-Base interactions energy: -149.826
where: short stacking energy: -111.885
Base-Backbone interact. energy: -0.387
local terms energy: -216.583183
where:
bonds (distance) C4'-P energy: -65.330
bonds (distance) P-C4' energy: -79.657
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -308.318817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.318817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.318817 (E_RNA)
where:
Base-Base interactions energy: -112.952
where: short stacking energy: -63.324
Base-Backbone interact. energy: -1.186
local terms energy: -194.180061
where:
bonds (distance) C4'-P energy: -71.242
bonds (distance) P-C4' energy: -68.046
flat angles C4'-P-C4' energy: -41.339
flat angles P-C4'-P energy: -44.120
tors. eta vs tors. theta energy: 30.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1397.642208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.642208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.642208 (E_RNA)
where:
Base-Base interactions energy: -946.746
where: short stacking energy: -400.194
Base-Backbone interact. energy: -1.257
local terms energy: -449.640044
where:
bonds (distance) C4'-P energy: -80.554
bonds (distance) P-C4' energy: -78.166
flat angles C4'-P-C4' energy: -90.125
flat angles P-C4'-P energy: -71.704
tors. eta vs tors. theta energy: -129.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1306.632438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.632438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.632438 (E_RNA)
where:
Base-Base interactions energy: -877.179
where: short stacking energy: -385.981
Base-Backbone interact. energy: -2.507
local terms energy: -426.947207
where:
bonds (distance) C4'-P energy: -83.601
bonds (distance) P-C4' energy: -78.104
flat angles C4'-P-C4' energy: -85.459
flat angles P-C4'-P energy: -64.346
tors. eta vs tors. theta energy: -115.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1247.992419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.992419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.992419 (E_RNA)
where:
Base-Base interactions energy: -844.675
where: short stacking energy: -343.912
Base-Backbone interact. energy: -2.062
local terms energy: -401.255423
where:
bonds (distance) C4'-P energy: -79.795
bonds (distance) P-C4' energy: -73.519
flat angles C4'-P-C4' energy: -90.769
flat angles P-C4'-P energy: -51.688
tors. eta vs tors. theta energy: -105.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1177.654839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.654839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.654839 (E_RNA)
where:
Base-Base interactions energy: -793.582
where: short stacking energy: -337.186
Base-Backbone interact. energy: -0.583
local terms energy: -383.489510
where:
bonds (distance) C4'-P energy: -82.504
bonds (distance) P-C4' energy: -64.043
flat angles C4'-P-C4' energy: -84.921
flat angles P-C4'-P energy: -51.925
tors. eta vs tors. theta energy: -100.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1006.823006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.823006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.823006 (E_RNA)
where:
Base-Base interactions energy: -654.011
where: short stacking energy: -290.007
Base-Backbone interact. energy: -0.926
local terms energy: -351.885815
where:
bonds (distance) C4'-P energy: -54.897
bonds (distance) P-C4' energy: -83.589
flat angles C4'-P-C4' energy: -77.517
flat angles P-C4'-P energy: -43.979
tors. eta vs tors. theta energy: -91.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -862.263091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.263091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.263091 (E_RNA)
where:
Base-Base interactions energy: -579.110
where: short stacking energy: -249.761
Base-Backbone interact. energy: -1.363
local terms energy: -281.789686
where:
bonds (distance) C4'-P energy: -49.694
bonds (distance) P-C4' energy: -59.569
flat angles C4'-P-C4' energy: -65.896
flat angles P-C4'-P energy: -49.617
tors. eta vs tors. theta energy: -57.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -745.087849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.087849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.087849 (E_RNA)
where:
Base-Base interactions energy: -464.036
where: short stacking energy: -203.334
Base-Backbone interact. energy: -1.448
local terms energy: -279.603680
where:
bonds (distance) C4'-P energy: -68.750
bonds (distance) P-C4' energy: -69.329
flat angles C4'-P-C4' energy: -69.770
flat angles P-C4'-P energy: -38.492
tors. eta vs tors. theta energy: -33.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -501.758306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.758306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.758306 (E_RNA)
where:
Base-Base interactions energy: -271.320
where: short stacking energy: -146.440
Base-Backbone interact. energy: -1.520
local terms energy: -228.917969
where:
bonds (distance) C4'-P energy: -51.890
bonds (distance) P-C4' energy: -68.657
flat angles C4'-P-C4' energy: -56.910
flat angles P-C4'-P energy: -40.310
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -388.267346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.267346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.267346 (E_RNA)
where:
Base-Base interactions energy: -167.234
where: short stacking energy: -122.090
Base-Backbone interact. energy: -1.539
local terms energy: -219.494568
where:
bonds (distance) C4'-P energy: -67.314
bonds (distance) P-C4' energy: -61.220
flat angles C4'-P-C4' energy: -55.722
flat angles P-C4'-P energy: -27.540
tors. eta vs tors. theta energy: -7.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -343.214525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.214525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.214525 (E_RNA)
where:
Base-Base interactions energy: -115.821
where: short stacking energy: -106.648
Base-Backbone interact. energy: -0.628
local terms energy: -226.765382
where:
bonds (distance) C4'-P energy: -71.023
bonds (distance) P-C4' energy: -65.423
flat angles C4'-P-C4' energy: -52.790
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: 0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1388.301545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.301545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.301545 (E_RNA)
where:
Base-Base interactions energy: -951.324
where: short stacking energy: -397.586
Base-Backbone interact. energy: 1.678
local terms energy: -438.655471
where:
bonds (distance) C4'-P energy: -72.932
bonds (distance) P-C4' energy: -85.377
flat angles C4'-P-C4' energy: -88.080
flat angles P-C4'-P energy: -65.270
tors. eta vs tors. theta energy: -126.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1280.316669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.316669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.316669 (E_RNA)
where:
Base-Base interactions energy: -881.969
where: short stacking energy: -362.603
Base-Backbone interact. energy: -2.510
local terms energy: -395.837701
where:
bonds (distance) C4'-P energy: -63.145
bonds (distance) P-C4' energy: -80.997
flat angles C4'-P-C4' energy: -84.788
flat angles P-C4'-P energy: -59.302
tors. eta vs tors. theta energy: -107.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1292.729951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.729951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.729951 (E_RNA)
where:
Base-Base interactions energy: -889.460
where: short stacking energy: -398.703
Base-Backbone interact. energy: -1.706
local terms energy: -401.563649
where:
bonds (distance) C4'-P energy: -73.111
bonds (distance) P-C4' energy: -73.482
flat angles C4'-P-C4' energy: -85.447
flat angles P-C4'-P energy: -53.535
tors. eta vs tors. theta energy: -115.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1181.408116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.408116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.408116 (E_RNA)
where:
Base-Base interactions energy: -819.460
where: short stacking energy: -337.084
Base-Backbone interact. energy: -0.507
local terms energy: -361.440758
where:
bonds (distance) C4'-P energy: -71.522
bonds (distance) P-C4' energy: -65.796
flat angles C4'-P-C4' energy: -68.639
flat angles P-C4'-P energy: -62.408
tors. eta vs tors. theta energy: -93.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1002.250114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.250114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.250114 (E_RNA)
where:
Base-Base interactions energy: -660.330
where: short stacking energy: -282.409
Base-Backbone interact. energy: 1.107
local terms energy: -343.026642
where:
bonds (distance) C4'-P energy: -66.928
bonds (distance) P-C4' energy: -69.882
flat angles C4'-P-C4' energy: -74.666
flat angles P-C4'-P energy: -48.400
tors. eta vs tors. theta energy: -83.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -922.228465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.228465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.228465 (E_RNA)
where:
Base-Base interactions energy: -596.071
where: short stacking energy: -275.607
Base-Backbone interact. energy: -1.075
local terms energy: -325.081818
where:
bonds (distance) C4'-P energy: -68.275
bonds (distance) P-C4' energy: -67.717
flat angles C4'-P-C4' energy: -83.567
flat angles P-C4'-P energy: -48.622
tors. eta vs tors. theta energy: -56.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -793.822020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.822020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.822020 (E_RNA)
where:
Base-Base interactions energy: -500.652
where: short stacking energy: -230.670
Base-Backbone interact. energy: -2.228
local terms energy: -290.941836
where:
bonds (distance) C4'-P energy: -55.066
bonds (distance) P-C4' energy: -70.717
flat angles C4'-P-C4' energy: -72.630
flat angles P-C4'-P energy: -38.713
tors. eta vs tors. theta energy: -53.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -600.854176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.854176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.854176 (E_RNA)
where:
Base-Base interactions energy: -322.819
where: short stacking energy: -179.298
Base-Backbone interact. energy: -0.740
local terms energy: -277.295083
where:
bonds (distance) C4'-P energy: -60.774
bonds (distance) P-C4' energy: -66.060
flat angles C4'-P-C4' energy: -73.806
flat angles P-C4'-P energy: -45.306
tors. eta vs tors. theta energy: -31.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -337.267987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.267987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.267987 (E_RNA)
where:
Base-Base interactions energy: -119.484
where: short stacking energy: -98.714
Base-Backbone interact. energy: -2.022
local terms energy: -215.761833
where:
bonds (distance) C4'-P energy: -63.262
bonds (distance) P-C4' energy: -57.458
flat angles C4'-P-C4' energy: -52.631
flat angles P-C4'-P energy: -37.141
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -332.421771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.421771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.421771 (E_RNA)
where:
Base-Base interactions energy: -113.039
where: short stacking energy: -103.256
Base-Backbone interact. energy: -0.154
local terms energy: -219.229395
where:
bonds (distance) C4'-P energy: -67.323
bonds (distance) P-C4' energy: -67.368
flat angles C4'-P-C4' energy: -45.895
flat angles P-C4'-P energy: -51.205
tors. eta vs tors. theta energy: 12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1392.876677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.876677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.876677 (E_RNA)
where:
Base-Base interactions energy: -944.795
where: short stacking energy: -392.562
Base-Backbone interact. energy: -1.424
local terms energy: -446.657139
where:
bonds (distance) C4'-P energy: -78.669
bonds (distance) P-C4' energy: -86.487
flat angles C4'-P-C4' energy: -90.621
flat angles P-C4'-P energy: -65.438
tors. eta vs tors. theta energy: -125.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1280.758060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.758060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.758060 (E_RNA)
where:
Base-Base interactions energy: -865.146
where: short stacking energy: -358.029
Base-Backbone interact. energy: -3.072
local terms energy: -412.540083
where:
bonds (distance) C4'-P energy: -74.439
bonds (distance) P-C4' energy: -82.376
flat angles C4'-P-C4' energy: -90.105
flat angles P-C4'-P energy: -62.176
tors. eta vs tors. theta energy: -103.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1254.710678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.710678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.710678 (E_RNA)
where:
Base-Base interactions energy: -831.120
where: short stacking energy: -364.584
Base-Backbone interact. energy: 1.062
local terms energy: -424.652530
where:
bonds (distance) C4'-P energy: -77.398
bonds (distance) P-C4' energy: -81.034
flat angles C4'-P-C4' energy: -92.445
flat angles P-C4'-P energy: -64.117
tors. eta vs tors. theta energy: -109.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1197.266008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.266008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.266008 (E_RNA)
where:
Base-Base interactions energy: -825.763
where: short stacking energy: -344.533
Base-Backbone interact. energy: -3.488
local terms energy: -368.014812
where:
bonds (distance) C4'-P energy: -69.321
bonds (distance) P-C4' energy: -59.556
flat angles C4'-P-C4' energy: -83.680
flat angles P-C4'-P energy: -54.583
tors. eta vs tors. theta energy: -100.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1034.473996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.473996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.473996 (E_RNA)
where:
Base-Base interactions energy: -665.652
where: short stacking energy: -289.806
Base-Backbone interact. energy: -0.234
local terms energy: -368.587993
where:
bonds (distance) C4'-P energy: -78.171
bonds (distance) P-C4' energy: -85.149
flat angles C4'-P-C4' energy: -69.173
flat angles P-C4'-P energy: -50.279
tors. eta vs tors. theta energy: -85.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -829.251659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.251659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.251659 (E_RNA)
where:
Base-Base interactions energy: -515.664
where: short stacking energy: -251.944
Base-Backbone interact. energy: -1.694
local terms energy: -311.893521
where:
bonds (distance) C4'-P energy: -65.179
bonds (distance) P-C4' energy: -69.177
flat angles C4'-P-C4' energy: -77.305
flat angles P-C4'-P energy: -42.377
tors. eta vs tors. theta energy: -57.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -778.514270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.514270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.514270 (E_RNA)
where:
Base-Base interactions energy: -492.178
where: short stacking energy: -225.647
Base-Backbone interact. energy: -2.087
local terms energy: -284.249047
where:
bonds (distance) C4'-P energy: -54.157
bonds (distance) P-C4' energy: -61.430
flat angles C4'-P-C4' energy: -78.442
flat angles P-C4'-P energy: -40.994
tors. eta vs tors. theta energy: -49.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -536.960619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.960619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.960619 (E_RNA)
where:
Base-Base interactions energy: -289.069
where: short stacking energy: -151.712
Base-Backbone interact. energy: -0.709
local terms energy: -247.182261
where:
bonds (distance) C4'-P energy: -52.339
bonds (distance) P-C4' energy: -64.927
flat angles C4'-P-C4' energy: -63.990
flat angles P-C4'-P energy: -37.148
tors. eta vs tors. theta energy: -28.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -336.810397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.810397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.810397 (E_RNA)
where:
Base-Base interactions energy: -102.747
where: short stacking energy: -85.386
Base-Backbone interact. energy: 1.603
local terms energy: -235.666293
where:
bonds (distance) C4'-P energy: -68.658
bonds (distance) P-C4' energy: -73.786
flat angles C4'-P-C4' energy: -58.752
flat angles P-C4'-P energy: -39.633
tors. eta vs tors. theta energy: 5.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -305.940418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.940418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.940418 (E_RNA)
where:
Base-Base interactions energy: -102.580
where: short stacking energy: -86.516
Base-Backbone interact. energy: 2.478
local terms energy: -205.838632
where:
bonds (distance) C4'-P energy: -48.943
bonds (distance) P-C4' energy: -68.228
flat angles C4'-P-C4' energy: -56.834
flat angles P-C4'-P energy: -47.891
tors. eta vs tors. theta energy: 16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1380.556538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.556538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.556538 (E_RNA)
where:
Base-Base interactions energy: -932.055
where: short stacking energy: -383.036
Base-Backbone interact. energy: -0.930
local terms energy: -447.572268
where:
bonds (distance) C4'-P energy: -88.657
bonds (distance) P-C4' energy: -77.673
flat angles C4'-P-C4' energy: -95.067
flat angles P-C4'-P energy: -63.490
tors. eta vs tors. theta energy: -122.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1300.393256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.393256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.393256 (E_RNA)
where:
Base-Base interactions energy: -880.580
where: short stacking energy: -371.831
Base-Backbone interact. energy: -0.674
local terms energy: -419.139215
where:
bonds (distance) C4'-P energy: -77.125
bonds (distance) P-C4' energy: -70.749
flat angles C4'-P-C4' energy: -83.967
flat angles P-C4'-P energy: -65.720
tors. eta vs tors. theta energy: -121.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1261.503420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.503420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.503420 (E_RNA)
where:
Base-Base interactions energy: -873.295
where: short stacking energy: -351.273
Base-Backbone interact. energy: -1.794
local terms energy: -386.414473
where:
bonds (distance) C4'-P energy: -71.848
bonds (distance) P-C4' energy: -68.680
flat angles C4'-P-C4' energy: -78.928
flat angles P-C4'-P energy: -60.494
tors. eta vs tors. theta energy: -106.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1183.345041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.345041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.345041 (E_RNA)
where:
Base-Base interactions energy: -803.161
where: short stacking energy: -343.388
Base-Backbone interact. energy: -2.026
local terms energy: -378.157410
where:
bonds (distance) C4'-P energy: -72.636
bonds (distance) P-C4' energy: -78.488
flat angles C4'-P-C4' energy: -80.780
flat angles P-C4'-P energy: -48.815
tors. eta vs tors. theta energy: -97.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1043.625560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.625560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.625560 (E_RNA)
where:
Base-Base interactions energy: -686.184
where: short stacking energy: -298.586
Base-Backbone interact. energy: -1.099
local terms energy: -356.342341
where:
bonds (distance) C4'-P energy: -70.449
bonds (distance) P-C4' energy: -72.060
flat angles C4'-P-C4' energy: -84.795
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -83.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -862.242040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.242040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.242040 (E_RNA)
where:
Base-Base interactions energy: -543.532
where: short stacking energy: -232.205
Base-Backbone interact. energy: -1.132
local terms energy: -317.578191
where:
bonds (distance) C4'-P energy: -73.303
bonds (distance) P-C4' energy: -75.395
flat angles C4'-P-C4' energy: -75.941
flat angles P-C4'-P energy: -55.945
tors. eta vs tors. theta energy: -36.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -715.236088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.236088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.236088 (E_RNA)
where:
Base-Base interactions energy: -427.972
where: short stacking energy: -194.873
Base-Backbone interact. energy: -1.084
local terms energy: -286.180432
where:
bonds (distance) C4'-P energy: -63.812
bonds (distance) P-C4' energy: -67.403
flat angles C4'-P-C4' energy: -71.886
flat angles P-C4'-P energy: -42.847
tors. eta vs tors. theta energy: -40.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -511.806719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.806719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.806719 (E_RNA)
where:
Base-Base interactions energy: -255.973
where: short stacking energy: -147.321
Base-Backbone interact. energy: 0.588
local terms energy: -256.421974
where:
bonds (distance) C4'-P energy: -77.503
bonds (distance) P-C4' energy: -81.669
flat angles C4'-P-C4' energy: -49.541
flat angles P-C4'-P energy: -41.277
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -347.068979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.068979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.068979 (E_RNA)
where:
Base-Base interactions energy: -125.483
where: short stacking energy: -107.420
Base-Backbone interact. energy: -2.108
local terms energy: -219.478708
where:
bonds (distance) C4'-P energy: -63.446
bonds (distance) P-C4' energy: -79.267
flat angles C4'-P-C4' energy: -57.454
flat angles P-C4'-P energy: -24.673
tors. eta vs tors. theta energy: 5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -348.636303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.636303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.636303 (E_RNA)
where:
Base-Base interactions energy: -143.889
where: short stacking energy: -98.223
Base-Backbone interact. energy: -2.268
local terms energy: -202.479550
where:
bonds (distance) C4'-P energy: -55.554
bonds (distance) P-C4' energy: -55.934
flat angles C4'-P-C4' energy: -67.271
flat angles P-C4'-P energy: -46.695
tors. eta vs tors. theta energy: 22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1389.223891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.223891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.223891 (E_RNA)
where:
Base-Base interactions energy: -971.297
where: short stacking energy: -401.492
Base-Backbone interact. energy: -0.141
local terms energy: -417.785675
where:
bonds (distance) C4'-P energy: -70.600
bonds (distance) P-C4' energy: -80.469
flat angles C4'-P-C4' energy: -76.762
flat angles P-C4'-P energy: -62.294
tors. eta vs tors. theta energy: -127.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1302.464397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.464397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.464397 (E_RNA)
where:
Base-Base interactions energy: -882.265
where: short stacking energy: -364.072
Base-Backbone interact. energy: -0.369
local terms energy: -419.830587
where:
bonds (distance) C4'-P energy: -77.795
bonds (distance) P-C4' energy: -83.910
flat angles C4'-P-C4' energy: -88.011
flat angles P-C4'-P energy: -56.326
tors. eta vs tors. theta energy: -113.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1230.493336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.493336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.493336 (E_RNA)
where:
Base-Base interactions energy: -858.805
where: short stacking energy: -344.194
Base-Backbone interact. energy: 1.620
local terms energy: -373.308304
where:
bonds (distance) C4'-P energy: -69.894
bonds (distance) P-C4' energy: -74.132
flat angles C4'-P-C4' energy: -71.294
flat angles P-C4'-P energy: -58.664
tors. eta vs tors. theta energy: -99.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1220.155093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.155093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.155093 (E_RNA)
where:
Base-Base interactions energy: -841.243
where: short stacking energy: -351.263
Base-Backbone interact. energy: -3.599
local terms energy: -375.313381
where:
bonds (distance) C4'-P energy: -66.458
bonds (distance) P-C4' energy: -82.608
flat angles C4'-P-C4' energy: -68.598
flat angles P-C4'-P energy: -43.082
tors. eta vs tors. theta energy: -114.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1005.607575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.607575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.607575 (E_RNA)
where:
Base-Base interactions energy: -672.152
where: short stacking energy: -288.977
Base-Backbone interact. energy: -1.082
local terms energy: -332.373930
where:
bonds (distance) C4'-P energy: -69.069
bonds (distance) P-C4' energy: -70.295
flat angles C4'-P-C4' energy: -70.587
flat angles P-C4'-P energy: -46.204
tors. eta vs tors. theta energy: -76.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -873.138822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.138822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.138822 (E_RNA)
where:
Base-Base interactions energy: -550.706
where: short stacking energy: -236.211
Base-Backbone interact. energy: 3.907
local terms energy: -326.339747
where:
bonds (distance) C4'-P energy: -64.116
bonds (distance) P-C4' energy: -69.963
flat angles C4'-P-C4' energy: -82.500
flat angles P-C4'-P energy: -50.597
tors. eta vs tors. theta energy: -59.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -745.375088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.375088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.375088 (E_RNA)
where:
Base-Base interactions energy: -457.065
where: short stacking energy: -209.849
Base-Backbone interact. energy: 1.099
local terms energy: -289.408694
where:
bonds (distance) C4'-P energy: -66.180
bonds (distance) P-C4' energy: -62.925
flat angles C4'-P-C4' energy: -70.123
flat angles P-C4'-P energy: -50.890
tors. eta vs tors. theta energy: -39.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -542.895018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.895018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.895018 (E_RNA)
where:
Base-Base interactions energy: -311.682
where: short stacking energy: -160.049
Base-Backbone interact. energy: -0.787
local terms energy: -230.426365
where:
bonds (distance) C4'-P energy: -55.671
bonds (distance) P-C4' energy: -58.574
flat angles C4'-P-C4' energy: -67.216
flat angles P-C4'-P energy: -30.668
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -375.586767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.586767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.586767 (E_RNA)
where:
Base-Base interactions energy: -171.247
where: short stacking energy: -116.510
Base-Backbone interact. energy: 2.318
local terms energy: -206.658552
where:
bonds (distance) C4'-P energy: -52.210
bonds (distance) P-C4' energy: -72.852
flat angles C4'-P-C4' energy: -67.346
flat angles P-C4'-P energy: -28.677
tors. eta vs tors. theta energy: 14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -298.292072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.292072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.292072 (E_RNA)
where:
Base-Base interactions energy: -102.039
where: short stacking energy: -79.135
Base-Backbone interact. energy: 4.685
local terms energy: -200.938033
where:
bonds (distance) C4'-P energy: -66.829
bonds (distance) P-C4' energy: -63.242
flat angles C4'-P-C4' energy: -66.860
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: 11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1405.281804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.281804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.281804 (E_RNA)
where:
Base-Base interactions energy: -957.973
where: short stacking energy: -414.211
Base-Backbone interact. energy: 1.240
local terms energy: -448.548892
where:
bonds (distance) C4'-P energy: -79.220
bonds (distance) P-C4' energy: -87.193
flat angles C4'-P-C4' energy: -96.723
flat angles P-C4'-P energy: -59.483
tors. eta vs tors. theta energy: -125.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1315.985044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.985044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.985044 (E_RNA)
where:
Base-Base interactions energy: -900.234
where: short stacking energy: -387.638
Base-Backbone interact. energy: -1.277
local terms energy: -414.473617
where:
bonds (distance) C4'-P energy: -80.050
bonds (distance) P-C4' energy: -73.747
flat angles C4'-P-C4' energy: -89.446
flat angles P-C4'-P energy: -52.823
tors. eta vs tors. theta energy: -118.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1235.773071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.773071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.773071 (E_RNA)
where:
Base-Base interactions energy: -845.585
where: short stacking energy: -333.433
Base-Backbone interact. energy: -0.891
local terms energy: -389.297810
where:
bonds (distance) C4'-P energy: -79.595
bonds (distance) P-C4' energy: -69.586
flat angles C4'-P-C4' energy: -88.593
flat angles P-C4'-P energy: -50.525
tors. eta vs tors. theta energy: -100.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1206.114353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.114353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.114353 (E_RNA)
where:
Base-Base interactions energy: -817.158
where: short stacking energy: -339.637
Base-Backbone interact. energy: -2.555
local terms energy: -386.400862
where:
bonds (distance) C4'-P energy: -75.070
bonds (distance) P-C4' energy: -72.676
flat angles C4'-P-C4' energy: -76.980
flat angles P-C4'-P energy: -55.552
tors. eta vs tors. theta energy: -106.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1020.485839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.485839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.485839 (E_RNA)
where:
Base-Base interactions energy: -660.810
where: short stacking energy: -303.899
Base-Backbone interact. energy: 0.407
local terms energy: -360.082816
where:
bonds (distance) C4'-P energy: -78.028
bonds (distance) P-C4' energy: -66.920
flat angles C4'-P-C4' energy: -76.837
flat angles P-C4'-P energy: -52.183
tors. eta vs tors. theta energy: -86.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -839.420295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.420295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.420295 (E_RNA)
where:
Base-Base interactions energy: -544.847
where: short stacking energy: -214.218
Base-Backbone interact. energy: -1.931
local terms energy: -292.642805
where:
bonds (distance) C4'-P energy: -63.500
bonds (distance) P-C4' energy: -73.835
flat angles C4'-P-C4' energy: -61.609
flat angles P-C4'-P energy: -51.541
tors. eta vs tors. theta energy: -42.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -738.060166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.060166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.060166 (E_RNA)
where:
Base-Base interactions energy: -438.072
where: short stacking energy: -191.302
Base-Backbone interact. energy: 3.973
local terms energy: -303.960382
where:
bonds (distance) C4'-P energy: -69.217
bonds (distance) P-C4' energy: -86.046
flat angles C4'-P-C4' energy: -73.502
flat angles P-C4'-P energy: -47.037
tors. eta vs tors. theta energy: -28.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -550.257434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.257434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.257434 (E_RNA)
where:
Base-Base interactions energy: -304.816
where: short stacking energy: -163.628
Base-Backbone interact. energy: -0.944
local terms energy: -244.497598
where:
bonds (distance) C4'-P energy: -71.792
bonds (distance) P-C4' energy: -71.629
flat angles C4'-P-C4' energy: -51.252
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -370.449031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.449031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.449031 (E_RNA)
where:
Base-Base interactions energy: -161.104
where: short stacking energy: -92.004
Base-Backbone interact. energy: -1.311
local terms energy: -208.033582
where:
bonds (distance) C4'-P energy: -56.800
bonds (distance) P-C4' energy: -74.474
flat angles C4'-P-C4' energy: -53.403
flat angles P-C4'-P energy: -35.410
tors. eta vs tors. theta energy: 12.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -311.222139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.222139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.222139 (E_RNA)
where:
Base-Base interactions energy: -86.356
where: short stacking energy: -77.517
Base-Backbone interact. energy: -1.330
local terms energy: -223.536013
where:
bonds (distance) C4'-P energy: -72.492
bonds (distance) P-C4' energy: -79.874
flat angles C4'-P-C4' energy: -44.961
flat angles P-C4'-P energy: -35.106
tors. eta vs tors. theta energy: 8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1385.505386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.505386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.505386 (E_RNA)
where:
Base-Base interactions energy: -935.055
where: short stacking energy: -395.980
Base-Backbone interact. energy: -0.483
local terms energy: -449.967617
where:
bonds (distance) C4'-P energy: -78.426
bonds (distance) P-C4' energy: -83.972
flat angles C4'-P-C4' energy: -96.796
flat angles P-C4'-P energy: -66.081
tors. eta vs tors. theta energy: -124.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1321.737764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.737764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.737764 (E_RNA)
where:
Base-Base interactions energy: -903.373
where: short stacking energy: -397.996
Base-Backbone interact. energy: 2.362
local terms energy: -420.726687
where:
bonds (distance) C4'-P energy: -59.799
bonds (distance) P-C4' energy: -79.524
flat angles C4'-P-C4' energy: -90.364
flat angles P-C4'-P energy: -63.041
tors. eta vs tors. theta energy: -127.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1190.786730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.786730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.786730 (E_RNA)
where:
Base-Base interactions energy: -783.612
where: short stacking energy: -338.344
Base-Backbone interact. energy: -0.938
local terms energy: -406.236352
where:
bonds (distance) C4'-P energy: -79.173
bonds (distance) P-C4' energy: -85.816
flat angles C4'-P-C4' energy: -89.441
flat angles P-C4'-P energy: -56.807
tors. eta vs tors. theta energy: -95.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1210.566790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.566790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.566790 (E_RNA)
where:
Base-Base interactions energy: -834.955
where: short stacking energy: -359.756
Base-Backbone interact. energy: -0.111
local terms energy: -375.500394
where:
bonds (distance) C4'-P energy: -65.516
bonds (distance) P-C4' energy: -66.226
flat angles C4'-P-C4' energy: -84.477
flat angles P-C4'-P energy: -57.542
tors. eta vs tors. theta energy: -101.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1062.617496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.617496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.617496 (E_RNA)
where:
Base-Base interactions energy: -697.823
where: short stacking energy: -315.515
Base-Backbone interact. energy: -1.520
local terms energy: -363.273844
where:
bonds (distance) C4'-P energy: -72.863
bonds (distance) P-C4' energy: -61.742
flat angles C4'-P-C4' energy: -78.139
flat angles P-C4'-P energy: -55.640
tors. eta vs tors. theta energy: -94.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -772.875964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.875964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.875964 (E_RNA)
where:
Base-Base interactions energy: -490.367
where: short stacking energy: -221.062
Base-Backbone interact. energy: -1.555
local terms energy: -280.954018
where:
bonds (distance) C4'-P energy: -68.531
bonds (distance) P-C4' energy: -71.525
flat angles C4'-P-C4' energy: -61.850
flat angles P-C4'-P energy: -41.927
tors. eta vs tors. theta energy: -37.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -733.589558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.589558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.589558 (E_RNA)
where:
Base-Base interactions energy: -444.042
where: short stacking energy: -200.160
Base-Backbone interact. energy: -1.362
local terms energy: -288.185995
where:
bonds (distance) C4'-P energy: -65.473
bonds (distance) P-C4' energy: -71.158
flat angles C4'-P-C4' energy: -63.680
flat angles P-C4'-P energy: -47.583
tors. eta vs tors. theta energy: -40.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -531.079373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.079373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.079373 (E_RNA)
where:
Base-Base interactions energy: -268.694
where: short stacking energy: -153.592
Base-Backbone interact. energy: -1.774
local terms energy: -260.611482
where:
bonds (distance) C4'-P energy: -67.837
bonds (distance) P-C4' energy: -77.339
flat angles C4'-P-C4' energy: -70.223
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -11.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -356.710555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.710555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.710555 (E_RNA)
where:
Base-Base interactions energy: -129.725
where: short stacking energy: -86.855
Base-Backbone interact. energy: -1.359
local terms energy: -225.626827
where:
bonds (distance) C4'-P energy: -79.173
bonds (distance) P-C4' energy: -61.586
flat angles C4'-P-C4' energy: -44.541
flat angles P-C4'-P energy: -47.382
tors. eta vs tors. theta energy: 7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -328.381416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.381416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.381416 (E_RNA)
where:
Base-Base interactions energy: -118.035
where: short stacking energy: -92.068
Base-Backbone interact. energy: 4.357
local terms energy: -214.703469
where:
bonds (distance) C4'-P energy: -66.523
bonds (distance) P-C4' energy: -71.037
flat angles C4'-P-C4' energy: -56.013
flat angles P-C4'-P energy: -27.196
tors. eta vs tors. theta energy: 6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1400.162904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.162904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.162904 (E_RNA)
where:
Base-Base interactions energy: -935.336
where: short stacking energy: -391.120
Base-Backbone interact. energy: -0.828
local terms energy: -463.999866
where:
bonds (distance) C4'-P energy: -93.096
bonds (distance) P-C4' energy: -87.122
flat angles C4'-P-C4' energy: -89.169
flat angles P-C4'-P energy: -71.073
tors. eta vs tors. theta energy: -123.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1294.930156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.930156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.930156 (E_RNA)
where:
Base-Base interactions energy: -870.174
where: short stacking energy: -387.779
Base-Backbone interact. energy: -2.617
local terms energy: -422.139214
where:
bonds (distance) C4'-P energy: -58.877
bonds (distance) P-C4' energy: -81.719
flat angles C4'-P-C4' energy: -96.455
flat angles P-C4'-P energy: -69.756
tors. eta vs tors. theta energy: -115.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1199.005994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.005994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.005994 (E_RNA)
where:
Base-Base interactions energy: -810.345
where: short stacking energy: -345.250
Base-Backbone interact. energy: -2.796
local terms energy: -385.864859
where:
bonds (distance) C4'-P energy: -71.483
bonds (distance) P-C4' energy: -80.542
flat angles C4'-P-C4' energy: -77.362
flat angles P-C4'-P energy: -48.267
tors. eta vs tors. theta energy: -108.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1193.602259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.602259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.602259 (E_RNA)
where:
Base-Base interactions energy: -805.288
where: short stacking energy: -333.380
Base-Backbone interact. energy: -0.570
local terms energy: -387.744926
where:
bonds (distance) C4'-P energy: -77.651
bonds (distance) P-C4' energy: -80.866
flat angles C4'-P-C4' energy: -77.909
flat angles P-C4'-P energy: -57.332
tors. eta vs tors. theta energy: -93.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1059.526528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.526528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.526528 (E_RNA)
where:
Base-Base interactions energy: -710.187
where: short stacking energy: -314.774
Base-Backbone interact. energy: 0.192
local terms energy: -349.531653
where:
bonds (distance) C4'-P energy: -69.209
bonds (distance) P-C4' energy: -67.314
flat angles C4'-P-C4' energy: -81.069
flat angles P-C4'-P energy: -42.953
tors. eta vs tors. theta energy: -88.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -892.925422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.925422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.925422 (E_RNA)
where:
Base-Base interactions energy: -558.478
where: short stacking energy: -240.720
Base-Backbone interact. energy: -4.130
local terms energy: -330.317312
where:
bonds (distance) C4'-P energy: -75.536
bonds (distance) P-C4' energy: -63.669
flat angles C4'-P-C4' energy: -67.929
flat angles P-C4'-P energy: -55.928
tors. eta vs tors. theta energy: -67.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -740.378955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.378955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.378955 (E_RNA)
where:
Base-Base interactions energy: -436.364
where: short stacking energy: -190.714
Base-Backbone interact. energy: -0.546
local terms energy: -303.468874
where:
bonds (distance) C4'-P energy: -69.344
bonds (distance) P-C4' energy: -72.072
flat angles C4'-P-C4' energy: -78.506
flat angles P-C4'-P energy: -51.070
tors. eta vs tors. theta energy: -32.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -536.675146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.675146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.675146 (E_RNA)
where:
Base-Base interactions energy: -278.182
where: short stacking energy: -184.163
Base-Backbone interact. energy: -0.971
local terms energy: -257.521803
where:
bonds (distance) C4'-P energy: -67.122
bonds (distance) P-C4' energy: -71.643
flat angles C4'-P-C4' energy: -65.163
flat angles P-C4'-P energy: -34.343
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -365.433223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.433223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.433223 (E_RNA)
where:
Base-Base interactions energy: -170.167
where: short stacking energy: -128.580
Base-Backbone interact. energy: -0.837
local terms energy: -194.429366
where:
bonds (distance) C4'-P energy: -47.182
bonds (distance) P-C4' energy: -68.754
flat angles C4'-P-C4' energy: -36.057
flat angles P-C4'-P energy: -33.633
tors. eta vs tors. theta energy: -8.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -304.573782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.573782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.573782 (E_RNA)
where:
Base-Base interactions energy: -105.933
where: short stacking energy: -90.845
Base-Backbone interact. energy: 0.071
local terms energy: -198.712290
where:
bonds (distance) C4'-P energy: -60.819
bonds (distance) P-C4' energy: -68.744
flat angles C4'-P-C4' energy: -46.897
flat angles P-C4'-P energy: -33.679
tors. eta vs tors. theta energy: 11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1373.501395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.501395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.501395 (E_RNA)
where:
Base-Base interactions energy: -943.772
where: short stacking energy: -414.787
Base-Backbone interact. energy: -0.198
local terms energy: -429.531956
where:
bonds (distance) C4'-P energy: -80.093
bonds (distance) P-C4' energy: -76.087
flat angles C4'-P-C4' energy: -90.376
flat angles P-C4'-P energy: -58.058
tors. eta vs tors. theta energy: -124.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1313.450285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.450285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.450285 (E_RNA)
where:
Base-Base interactions energy: -884.292
where: short stacking energy: -385.193
Base-Backbone interact. energy: 1.232
local terms energy: -430.390596
where:
bonds (distance) C4'-P energy: -83.446
bonds (distance) P-C4' energy: -79.083
flat angles C4'-P-C4' energy: -89.541
flat angles P-C4'-P energy: -67.600
tors. eta vs tors. theta energy: -110.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1231.166768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.166768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.166768 (E_RNA)
where:
Base-Base interactions energy: -822.392
where: short stacking energy: -357.247
Base-Backbone interact. energy: -1.833
local terms energy: -406.941578
where:
bonds (distance) C4'-P energy: -80.183
bonds (distance) P-C4' energy: -66.445
flat angles C4'-P-C4' energy: -92.601
flat angles P-C4'-P energy: -54.446
tors. eta vs tors. theta energy: -113.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1184.550880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.550880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.550880 (E_RNA)
where:
Base-Base interactions energy: -814.608
where: short stacking energy: -339.531
Base-Backbone interact. energy: -1.467
local terms energy: -368.476142
where:
bonds (distance) C4'-P energy: -71.215
bonds (distance) P-C4' energy: -72.364
flat angles C4'-P-C4' energy: -83.764
flat angles P-C4'-P energy: -46.855
tors. eta vs tors. theta energy: -94.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1087.213801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.213801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.213801 (E_RNA)
where:
Base-Base interactions energy: -711.326
where: short stacking energy: -307.024
Base-Backbone interact. energy: -0.170
local terms energy: -375.717884
where:
bonds (distance) C4'-P energy: -62.731
bonds (distance) P-C4' energy: -75.098
flat angles C4'-P-C4' energy: -83.342
flat angles P-C4'-P energy: -58.375
tors. eta vs tors. theta energy: -96.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -920.038197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.038197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.038197 (E_RNA)
where:
Base-Base interactions energy: -582.388
where: short stacking energy: -259.285
Base-Backbone interact. energy: -1.875
local terms energy: -335.775325
where:
bonds (distance) C4'-P energy: -71.520
bonds (distance) P-C4' energy: -66.658
flat angles C4'-P-C4' energy: -76.138
flat angles P-C4'-P energy: -55.683
tors. eta vs tors. theta energy: -65.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -787.158400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.158400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.158400 (E_RNA)
where:
Base-Base interactions energy: -483.560
where: short stacking energy: -214.809
Base-Backbone interact. energy: 1.179
local terms energy: -304.777554
where:
bonds (distance) C4'-P energy: -74.384
bonds (distance) P-C4' energy: -70.242
flat angles C4'-P-C4' energy: -77.317
flat angles P-C4'-P energy: -36.026
tors. eta vs tors. theta energy: -46.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -544.887243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.887243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.887243 (E_RNA)
where:
Base-Base interactions energy: -286.278
where: short stacking energy: -174.847
Base-Backbone interact. energy: 0.387
local terms energy: -258.996437
where:
bonds (distance) C4'-P energy: -67.622
bonds (distance) P-C4' energy: -77.815
flat angles C4'-P-C4' energy: -53.872
flat angles P-C4'-P energy: -36.649
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -345.772618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.772618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.772618 (E_RNA)
where:
Base-Base interactions energy: -119.555
where: short stacking energy: -110.321
Base-Backbone interact. energy: -1.139
local terms energy: -225.078216
where:
bonds (distance) C4'-P energy: -75.922
bonds (distance) P-C4' energy: -68.558
flat angles C4'-P-C4' energy: -54.146
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: 11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -313.743979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.743979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.743979 (E_RNA)
where:
Base-Base interactions energy: -129.972
where: short stacking energy: -94.109
Base-Backbone interact. energy: 4.142
local terms energy: -187.914175
where:
bonds (distance) C4'-P energy: -62.195
bonds (distance) P-C4' energy: -61.952
flat angles C4'-P-C4' energy: -45.690
flat angles P-C4'-P energy: -39.541
tors. eta vs tors. theta energy: 21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1391.497042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.497042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.497042 (E_RNA)
where:
Base-Base interactions energy: -946.952
where: short stacking energy: -420.002
Base-Backbone interact. energy: -1.856
local terms energy: -442.689156
where:
bonds (distance) C4'-P energy: -79.234
bonds (distance) P-C4' energy: -81.620
flat angles C4'-P-C4' energy: -98.588
flat angles P-C4'-P energy: -58.498
tors. eta vs tors. theta energy: -124.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1304.033665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.033665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.033665 (E_RNA)
where:
Base-Base interactions energy: -871.101
where: short stacking energy: -387.350
Base-Backbone interact. energy: -1.876
local terms energy: -431.056394
where:
bonds (distance) C4'-P energy: -71.368
bonds (distance) P-C4' energy: -93.344
flat angles C4'-P-C4' energy: -93.444
flat angles P-C4'-P energy: -52.879
tors. eta vs tors. theta energy: -120.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1221.982818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.982818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.982818 (E_RNA)
where:
Base-Base interactions energy: -805.341
where: short stacking energy: -356.624
Base-Backbone interact. energy: -2.693
local terms energy: -413.949555
where:
bonds (distance) C4'-P energy: -79.057
bonds (distance) P-C4' energy: -74.797
flat angles C4'-P-C4' energy: -93.445
flat angles P-C4'-P energy: -58.402
tors. eta vs tors. theta energy: -108.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1227.253469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.253469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.253469 (E_RNA)
where:
Base-Base interactions energy: -847.755
where: short stacking energy: -349.880
Base-Backbone interact. energy: 0.720
local terms energy: -380.218886
where:
bonds (distance) C4'-P energy: -73.164
bonds (distance) P-C4' energy: -69.436
flat angles C4'-P-C4' energy: -86.542
flat angles P-C4'-P energy: -52.107
tors. eta vs tors. theta energy: -98.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1118.275169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.275169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.275169 (E_RNA)
where:
Base-Base interactions energy: -736.634
where: short stacking energy: -341.656
Base-Backbone interact. energy: -0.608
local terms energy: -381.033781
where:
bonds (distance) C4'-P energy: -77.621
bonds (distance) P-C4' energy: -77.717
flat angles C4'-P-C4' energy: -78.655
flat angles P-C4'-P energy: -49.859
tors. eta vs tors. theta energy: -97.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -863.373062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.373062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.373062 (E_RNA)
where:
Base-Base interactions energy: -546.072
where: short stacking energy: -209.808
Base-Backbone interact. energy: -3.977
local terms energy: -313.323357
where:
bonds (distance) C4'-P energy: -58.607
bonds (distance) P-C4' energy: -78.381
flat angles C4'-P-C4' energy: -74.659
flat angles P-C4'-P energy: -61.337
tors. eta vs tors. theta energy: -40.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -751.400693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.400693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.400693 (E_RNA)
where:
Base-Base interactions energy: -472.878
where: short stacking energy: -212.858
Base-Backbone interact. energy: 4.553
local terms energy: -283.075636
where:
bonds (distance) C4'-P energy: -53.549
bonds (distance) P-C4' energy: -75.444
flat angles C4'-P-C4' energy: -66.417
flat angles P-C4'-P energy: -37.895
tors. eta vs tors. theta energy: -49.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -509.656341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.656341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.656341 (E_RNA)
where:
Base-Base interactions energy: -271.043
where: short stacking energy: -147.280
Base-Backbone interact. energy: 1.470
local terms energy: -240.083128
where:
bonds (distance) C4'-P energy: -64.480
bonds (distance) P-C4' energy: -69.790
flat angles C4'-P-C4' energy: -54.245
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -346.616118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.616118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.616118 (E_RNA)
where:
Base-Base interactions energy: -124.885
where: short stacking energy: -95.405
Base-Backbone interact. energy: -2.503
local terms energy: -219.228726
where:
bonds (distance) C4'-P energy: -69.318
bonds (distance) P-C4' energy: -68.185
flat angles C4'-P-C4' energy: -55.414
flat angles P-C4'-P energy: -35.140
tors. eta vs tors. theta energy: 8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -339.320438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.320438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.320438 (E_RNA)
where:
Base-Base interactions energy: -123.588
where: short stacking energy: -102.188
Base-Backbone interact. energy: 4.694
local terms energy: -220.425943
where:
bonds (distance) C4'-P energy: -74.516
bonds (distance) P-C4' energy: -65.367
flat angles C4'-P-C4' energy: -53.219
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1382.766620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.766620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.766620 (E_RNA)
where:
Base-Base interactions energy: -948.621
where: short stacking energy: -392.027
Base-Backbone interact. energy: -1.674
local terms energy: -432.472410
where:
bonds (distance) C4'-P energy: -84.596
bonds (distance) P-C4' energy: -64.413
flat angles C4'-P-C4' energy: -93.828
flat angles P-C4'-P energy: -66.026
tors. eta vs tors. theta energy: -123.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1306.935331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.935331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.935331 (E_RNA)
where:
Base-Base interactions energy: -872.107
where: short stacking energy: -371.818
Base-Backbone interact. energy: -2.039
local terms energy: -432.789930
where:
bonds (distance) C4'-P energy: -84.890
bonds (distance) P-C4' energy: -78.734
flat angles C4'-P-C4' energy: -94.124
flat angles P-C4'-P energy: -58.307
tors. eta vs tors. theta energy: -116.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1265.849140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.849140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.849140 (E_RNA)
where:
Base-Base interactions energy: -862.612
where: short stacking energy: -342.055
Base-Backbone interact. energy: -2.410
local terms energy: -400.826396
where:
bonds (distance) C4'-P energy: -78.064
bonds (distance) P-C4' energy: -76.929
flat angles C4'-P-C4' energy: -88.393
flat angles P-C4'-P energy: -60.506
tors. eta vs tors. theta energy: -96.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1191.011227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.011227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.011227 (E_RNA)
where:
Base-Base interactions energy: -788.771
where: short stacking energy: -343.298
Base-Backbone interact. energy: -2.066
local terms energy: -400.174727
where:
bonds (distance) C4'-P energy: -80.192
bonds (distance) P-C4' energy: -81.961
flat angles C4'-P-C4' energy: -81.474
flat angles P-C4'-P energy: -55.706
tors. eta vs tors. theta energy: -100.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1084.342924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.342924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.342924 (E_RNA)
where:
Base-Base interactions energy: -703.443
where: short stacking energy: -315.227
Base-Backbone interact. energy: -0.235
local terms energy: -380.665767
where:
bonds (distance) C4'-P energy: -70.977
bonds (distance) P-C4' energy: -70.158
flat angles C4'-P-C4' energy: -91.532
flat angles P-C4'-P energy: -48.565
tors. eta vs tors. theta energy: -99.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -859.164916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.164916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.164916 (E_RNA)
where:
Base-Base interactions energy: -555.707
where: short stacking energy: -225.419
Base-Backbone interact. energy: -1.975
local terms energy: -301.483586
where:
bonds (distance) C4'-P energy: -69.803
bonds (distance) P-C4' energy: -71.228
flat angles C4'-P-C4' energy: -72.932
flat angles P-C4'-P energy: -46.339
tors. eta vs tors. theta energy: -41.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -701.645780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.645780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.645780 (E_RNA)
where:
Base-Base interactions energy: -423.595
where: short stacking energy: -206.773
Base-Backbone interact. energy: 2.963
local terms energy: -281.013671
where:
bonds (distance) C4'-P energy: -60.252
bonds (distance) P-C4' energy: -76.371
flat angles C4'-P-C4' energy: -72.599
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: -37.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -474.021593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.021593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.021593 (E_RNA)
where:
Base-Base interactions energy: -233.136
where: short stacking energy: -140.436
Base-Backbone interact. energy: 0.275
local terms energy: -241.160947
where:
bonds (distance) C4'-P energy: -76.162
bonds (distance) P-C4' energy: -62.067
flat angles C4'-P-C4' energy: -72.330
flat angles P-C4'-P energy: -38.005
tors. eta vs tors. theta energy: 7.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -343.127738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.127738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.127738 (E_RNA)
where:
Base-Base interactions energy: -135.485
where: short stacking energy: -125.012
Base-Backbone interact. energy: 6.601
local terms energy: -214.243312
where:
bonds (distance) C4'-P energy: -66.264
bonds (distance) P-C4' energy: -71.022
flat angles C4'-P-C4' energy: -59.631
flat angles P-C4'-P energy: -24.708
tors. eta vs tors. theta energy: 7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -316.972204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.972204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.972204 (E_RNA)
where:
Base-Base interactions energy: -98.515
where: short stacking energy: -79.327
Base-Backbone interact. energy: -0.137
local terms energy: -218.321154
where:
bonds (distance) C4'-P energy: -61.641
bonds (distance) P-C4' energy: -74.395
flat angles C4'-P-C4' energy: -51.762
flat angles P-C4'-P energy: -31.574
tors. eta vs tors. theta energy: 1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1377.488025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.488025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.488025 (E_RNA)
where:
Base-Base interactions energy: -951.456
where: short stacking energy: -404.798
Base-Backbone interact. energy: -0.316
local terms energy: -425.716264
where:
bonds (distance) C4'-P energy: -72.303
bonds (distance) P-C4' energy: -70.890
flat angles C4'-P-C4' energy: -92.192
flat angles P-C4'-P energy: -62.583
tors. eta vs tors. theta energy: -127.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1290.960899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.960899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.960899 (E_RNA)
where:
Base-Base interactions energy: -894.866
where: short stacking energy: -374.277
Base-Backbone interact. energy: -1.986
local terms energy: -394.109277
where:
bonds (distance) C4'-P energy: -67.604
bonds (distance) P-C4' energy: -70.378
flat angles C4'-P-C4' energy: -93.747
flat angles P-C4'-P energy: -57.876
tors. eta vs tors. theta energy: -104.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1275.385206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.385206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.385206 (E_RNA)
where:
Base-Base interactions energy: -874.668
where: short stacking energy: -377.691
Base-Backbone interact. energy: -1.346
local terms energy: -399.371207
where:
bonds (distance) C4'-P energy: -77.101
bonds (distance) P-C4' energy: -75.523
flat angles C4'-P-C4' energy: -92.709
flat angles P-C4'-P energy: -46.274
tors. eta vs tors. theta energy: -107.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1217.984337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.984337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.984337 (E_RNA)
where:
Base-Base interactions energy: -825.612
where: short stacking energy: -361.973
Base-Backbone interact. energy: -2.281
local terms energy: -390.091222
where:
bonds (distance) C4'-P energy: -63.629
bonds (distance) P-C4' energy: -75.499
flat angles C4'-P-C4' energy: -91.500
flat angles P-C4'-P energy: -57.285
tors. eta vs tors. theta energy: -102.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1060.616715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.616715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.616715 (E_RNA)
where:
Base-Base interactions energy: -683.859
where: short stacking energy: -319.082
Base-Backbone interact. energy: -0.139
local terms energy: -376.618338
where:
bonds (distance) C4'-P energy: -76.509
bonds (distance) P-C4' energy: -77.428
flat angles C4'-P-C4' energy: -84.586
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -95.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -905.409911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.409911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.409911 (E_RNA)
where:
Base-Base interactions energy: -578.198
where: short stacking energy: -262.165
Base-Backbone interact. energy: 0.274
local terms energy: -327.486420
where:
bonds (distance) C4'-P energy: -64.405
bonds (distance) P-C4' energy: -79.238
flat angles C4'-P-C4' energy: -67.191
flat angles P-C4'-P energy: -59.743
tors. eta vs tors. theta energy: -56.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -698.894886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.894886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.894886 (E_RNA)
where:
Base-Base interactions energy: -421.694
where: short stacking energy: -215.593
Base-Backbone interact. energy: 0.002
local terms energy: -277.202208
where:
bonds (distance) C4'-P energy: -61.833
bonds (distance) P-C4' energy: -60.551
flat angles C4'-P-C4' energy: -60.471
flat angles P-C4'-P energy: -45.986
tors. eta vs tors. theta energy: -48.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -479.790773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.790773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.790773 (E_RNA)
where:
Base-Base interactions energy: -226.640
where: short stacking energy: -134.289
Base-Backbone interact. energy: -1.671
local terms energy: -251.479571
where:
bonds (distance) C4'-P energy: -61.860
bonds (distance) P-C4' energy: -72.703
flat angles C4'-P-C4' energy: -59.781
flat angles P-C4'-P energy: -37.440
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -345.899435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.899435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.899435 (E_RNA)
where:
Base-Base interactions energy: -115.313
where: short stacking energy: -97.043
Base-Backbone interact. energy: 1.107
local terms energy: -231.693159
where:
bonds (distance) C4'-P energy: -70.519
bonds (distance) P-C4' energy: -68.037
flat angles C4'-P-C4' energy: -45.910
flat angles P-C4'-P energy: -47.603
tors. eta vs tors. theta energy: 0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -320.129634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.129634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.129634 (E_RNA)
where:
Base-Base interactions energy: -109.642
where: short stacking energy: -87.631
Base-Backbone interact. energy: -2.385
local terms energy: -208.102723
where:
bonds (distance) C4'-P energy: -64.027
bonds (distance) P-C4' energy: -58.139
flat angles C4'-P-C4' energy: -45.709
flat angles P-C4'-P energy: -42.162
tors. eta vs tors. theta energy: 1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1406.182759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.182759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.182759 (E_RNA)
where:
Base-Base interactions energy: -950.373
where: short stacking energy: -417.027
Base-Backbone interact. energy: -0.653
local terms energy: -455.156649
where:
bonds (distance) C4'-P energy: -80.587
bonds (distance) P-C4' energy: -80.840
flat angles C4'-P-C4' energy: -102.339
flat angles P-C4'-P energy: -64.473
tors. eta vs tors. theta energy: -126.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1332.288008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.288008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.288008 (E_RNA)
where:
Base-Base interactions energy: -942.395
where: short stacking energy: -374.262
Base-Backbone interact. energy: -0.559
local terms energy: -389.333726
where:
bonds (distance) C4'-P energy: -68.501
bonds (distance) P-C4' energy: -75.525
flat angles C4'-P-C4' energy: -78.163
flat angles P-C4'-P energy: -57.752
tors. eta vs tors. theta energy: -109.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1260.182778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.182778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.182778 (E_RNA)
where:
Base-Base interactions energy: -855.176
where: short stacking energy: -347.543
Base-Backbone interact. energy: 0.489
local terms energy: -405.495885
where:
bonds (distance) C4'-P energy: -75.493
bonds (distance) P-C4' energy: -76.934
flat angles C4'-P-C4' energy: -87.358
flat angles P-C4'-P energy: -56.675
tors. eta vs tors. theta energy: -109.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1218.117199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.117199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.117199 (E_RNA)
where:
Base-Base interactions energy: -813.601
where: short stacking energy: -355.345
Base-Backbone interact. energy: -1.698
local terms energy: -402.818538
where:
bonds (distance) C4'-P energy: -72.288
bonds (distance) P-C4' energy: -74.347
flat angles C4'-P-C4' energy: -86.701
flat angles P-C4'-P energy: -57.728
tors. eta vs tors. theta energy: -111.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1102.170281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.170281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.170281 (E_RNA)
where:
Base-Base interactions energy: -718.793
where: short stacking energy: -327.301
Base-Backbone interact. energy: -1.544
local terms energy: -381.833592
where:
bonds (distance) C4'-P energy: -77.741
bonds (distance) P-C4' energy: -70.080
flat angles C4'-P-C4' energy: -86.765
flat angles P-C4'-P energy: -49.878
tors. eta vs tors. theta energy: -97.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -857.415277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.415277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.415277 (E_RNA)
where:
Base-Base interactions energy: -562.312
where: short stacking energy: -236.570
Base-Backbone interact. energy: -3.027
local terms energy: -292.076571
where:
bonds (distance) C4'-P energy: -66.394
bonds (distance) P-C4' energy: -69.335
flat angles C4'-P-C4' energy: -73.174
flat angles P-C4'-P energy: -42.239
tors. eta vs tors. theta energy: -40.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -704.834545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.834545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.834545 (E_RNA)
where:
Base-Base interactions energy: -418.682
where: short stacking energy: -185.318
Base-Backbone interact. energy: 0.142
local terms energy: -286.294607
where:
bonds (distance) C4'-P energy: -77.685
bonds (distance) P-C4' energy: -75.730
flat angles C4'-P-C4' energy: -58.903
flat angles P-C4'-P energy: -39.609
tors. eta vs tors. theta energy: -34.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -448.571687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.571687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.571687 (E_RNA)
where:
Base-Base interactions energy: -225.103
where: short stacking energy: -125.348
Base-Backbone interact. energy: -2.895
local terms energy: -220.573986
where:
bonds (distance) C4'-P energy: -66.373
bonds (distance) P-C4' energy: -65.850
flat angles C4'-P-C4' energy: -75.539
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: 6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -377.334545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.334545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.334545 (E_RNA)
where:
Base-Base interactions energy: -135.942
where: short stacking energy: -107.390
Base-Backbone interact. energy: 3.174
local terms energy: -244.566304
where:
bonds (distance) C4'-P energy: -56.425
bonds (distance) P-C4' energy: -76.809
flat angles C4'-P-C4' energy: -69.130
flat angles P-C4'-P energy: -43.888
tors. eta vs tors. theta energy: 1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -332.616038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.616038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.616038 (E_RNA)
where:
Base-Base interactions energy: -126.146
where: short stacking energy: -108.407
Base-Backbone interact. energy: 3.346
local terms energy: -209.815349
where:
bonds (distance) C4'-P energy: -77.237
bonds (distance) P-C4' energy: -66.425
flat angles C4'-P-C4' energy: -40.227
flat angles P-C4'-P energy: -26.918
tors. eta vs tors. theta energy: 0.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1397.800677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.800677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.800677 (E_RNA)
where:
Base-Base interactions energy: -941.848
where: short stacking energy: -409.100
Base-Backbone interact. energy: -0.870
local terms energy: -455.082424
where:
bonds (distance) C4'-P energy: -88.975
bonds (distance) P-C4' energy: -84.802
flat angles C4'-P-C4' energy: -89.016
flat angles P-C4'-P energy: -65.053
tors. eta vs tors. theta energy: -127.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1323.959363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.959363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.959363 (E_RNA)
where:
Base-Base interactions energy: -910.393
where: short stacking energy: -366.106
Base-Backbone interact. energy: -1.138
local terms energy: -412.429209
where:
bonds (distance) C4'-P energy: -77.362
bonds (distance) P-C4' energy: -78.577
flat angles C4'-P-C4' energy: -87.421
flat angles P-C4'-P energy: -62.442
tors. eta vs tors. theta energy: -106.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1276.023989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.023989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.023989 (E_RNA)
where:
Base-Base interactions energy: -857.945
where: short stacking energy: -376.161
Base-Backbone interact. energy: -2.114
local terms energy: -415.965086
where:
bonds (distance) C4'-P energy: -72.007
bonds (distance) P-C4' energy: -80.469
flat angles C4'-P-C4' energy: -91.344
flat angles P-C4'-P energy: -58.861
tors. eta vs tors. theta energy: -113.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1221.304757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.304757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.304757 (E_RNA)
where:
Base-Base interactions energy: -838.913
where: short stacking energy: -373.939
Base-Backbone interact. energy: -0.891
local terms energy: -381.500829
where:
bonds (distance) C4'-P energy: -60.855
bonds (distance) P-C4' energy: -75.790
flat angles C4'-P-C4' energy: -85.012
flat angles P-C4'-P energy: -48.798
tors. eta vs tors. theta energy: -111.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1081.508682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.508682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.508682 (E_RNA)
where:
Base-Base interactions energy: -715.641
where: short stacking energy: -330.000
Base-Backbone interact. energy: 1.742
local terms energy: -367.610232
where:
bonds (distance) C4'-P energy: -78.295
bonds (distance) P-C4' energy: -77.374
flat angles C4'-P-C4' energy: -65.777
flat angles P-C4'-P energy: -58.027
tors. eta vs tors. theta energy: -88.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -824.165251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.165251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.165251 (E_RNA)
where:
Base-Base interactions energy: -519.603
where: short stacking energy: -225.578
Base-Backbone interact. energy: -0.576
local terms energy: -303.985793
where:
bonds (distance) C4'-P energy: -68.723
bonds (distance) P-C4' energy: -72.859
flat angles C4'-P-C4' energy: -75.632
flat angles P-C4'-P energy: -45.259
tors. eta vs tors. theta energy: -41.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -743.283378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.283378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.283378 (E_RNA)
where:
Base-Base interactions energy: -462.318
where: short stacking energy: -220.909
Base-Backbone interact. energy: -2.569
local terms energy: -278.396884
where:
bonds (distance) C4'-P energy: -58.753
bonds (distance) P-C4' energy: -65.252
flat angles C4'-P-C4' energy: -61.696
flat angles P-C4'-P energy: -47.928
tors. eta vs tors. theta energy: -44.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -420.240590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.240590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.240590 (E_RNA)
where:
Base-Base interactions energy: -190.149
where: short stacking energy: -107.503
Base-Backbone interact. energy: 3.302
local terms energy: -233.393576
where:
bonds (distance) C4'-P energy: -70.132
bonds (distance) P-C4' energy: -77.442
flat angles C4'-P-C4' energy: -61.366
flat angles P-C4'-P energy: -29.993
tors. eta vs tors. theta energy: 5.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -344.153363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.153363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.153363 (E_RNA)
where:
Base-Base interactions energy: -136.068
where: short stacking energy: -94.690
Base-Backbone interact. energy: -1.437
local terms energy: -206.648134
where:
bonds (distance) C4'-P energy: -61.248
bonds (distance) P-C4' energy: -77.479
flat angles C4'-P-C4' energy: -52.838
flat angles P-C4'-P energy: -28.584
tors. eta vs tors. theta energy: 13.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -315.604340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.604340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.604340 (E_RNA)
where:
Base-Base interactions energy: -124.368
where: short stacking energy: -91.942
Base-Backbone interact. energy: 2.881
local terms energy: -194.116956
where:
bonds (distance) C4'-P energy: -66.353
bonds (distance) P-C4' energy: -61.895
flat angles C4'-P-C4' energy: -56.450
flat angles P-C4'-P energy: -28.331
tors. eta vs tors. theta energy: 18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1404.524814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.524814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.524814 (E_RNA)
where:
Base-Base interactions energy: -950.675
where: short stacking energy: -398.307
Base-Backbone interact. energy: -0.569
local terms energy: -453.281147
where:
bonds (distance) C4'-P energy: -86.235
bonds (distance) P-C4' energy: -85.508
flat angles C4'-P-C4' energy: -92.574
flat angles P-C4'-P energy: -62.425
tors. eta vs tors. theta energy: -126.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1328.428222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.428222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.428222 (E_RNA)
where:
Base-Base interactions energy: -917.178
where: short stacking energy: -364.613
Base-Backbone interact. energy: -4.643
local terms energy: -406.608183
where:
bonds (distance) C4'-P energy: -62.691
bonds (distance) P-C4' energy: -81.837
flat angles C4'-P-C4' energy: -96.935
flat angles P-C4'-P energy: -62.194
tors. eta vs tors. theta energy: -102.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1275.670058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.670058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.670058 (E_RNA)
where:
Base-Base interactions energy: -863.876
where: short stacking energy: -372.634
Base-Backbone interact. energy: -2.296
local terms energy: -409.497637
where:
bonds (distance) C4'-P energy: -60.323
bonds (distance) P-C4' energy: -86.152
flat angles C4'-P-C4' energy: -92.457
flat angles P-C4'-P energy: -55.707
tors. eta vs tors. theta energy: -114.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1196.746141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.746141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.746141 (E_RNA)
where:
Base-Base interactions energy: -829.141
where: short stacking energy: -347.501
Base-Backbone interact. energy: -2.891
local terms energy: -364.714074
where:
bonds (distance) C4'-P energy: -63.964
bonds (distance) P-C4' energy: -71.139
flat angles C4'-P-C4' energy: -88.087
flat angles P-C4'-P energy: -48.366
tors. eta vs tors. theta energy: -93.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1098.623081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.623081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.623081 (E_RNA)
where:
Base-Base interactions energy: -738.107
where: short stacking energy: -339.784
Base-Backbone interact. energy: -0.618
local terms energy: -359.898046
where:
bonds (distance) C4'-P energy: -56.744
bonds (distance) P-C4' energy: -69.493
flat angles C4'-P-C4' energy: -80.511
flat angles P-C4'-P energy: -53.602
tors. eta vs tors. theta energy: -99.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -874.864550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.864550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.864550 (E_RNA)
where:
Base-Base interactions energy: -550.517
where: short stacking energy: -251.596
Base-Backbone interact. energy: -0.355
local terms energy: -323.992800
where:
bonds (distance) C4'-P energy: -61.914
bonds (distance) P-C4' energy: -70.520
flat angles C4'-P-C4' energy: -77.623
flat angles P-C4'-P energy: -57.111
tors. eta vs tors. theta energy: -56.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -708.930613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.930613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.930613 (E_RNA)
where:
Base-Base interactions energy: -414.824
where: short stacking energy: -199.528
Base-Backbone interact. energy: -0.667
local terms energy: -293.440139
where:
bonds (distance) C4'-P energy: -74.758
bonds (distance) P-C4' energy: -68.403
flat angles C4'-P-C4' energy: -69.226
flat angles P-C4'-P energy: -37.539
tors. eta vs tors. theta energy: -43.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -469.833576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.833576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.833576 (E_RNA)
where:
Base-Base interactions energy: -224.349
where: short stacking energy: -134.579
Base-Backbone interact. energy: -0.644
local terms energy: -244.841227
where:
bonds (distance) C4'-P energy: -74.674
bonds (distance) P-C4' energy: -67.351
flat angles C4'-P-C4' energy: -64.892
flat angles P-C4'-P energy: -32.280
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -356.775806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.775806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.775806 (E_RNA)
where:
Base-Base interactions energy: -118.145
where: short stacking energy: -112.030
Base-Backbone interact. energy: 3.748
local terms energy: -242.379633
where:
bonds (distance) C4'-P energy: -58.394
bonds (distance) P-C4' energy: -85.242
flat angles C4'-P-C4' energy: -59.176
flat angles P-C4'-P energy: -44.115
tors. eta vs tors. theta energy: 4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -347.294107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.294107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.294107 (E_RNA)
where:
Base-Base interactions energy: -130.613
where: short stacking energy: -84.424
Base-Backbone interact. energy: 0.463
local terms energy: -217.144160
where:
bonds (distance) C4'-P energy: -65.284
bonds (distance) P-C4' energy: -65.690
flat angles C4'-P-C4' energy: -61.601
flat angles P-C4'-P energy: -35.022
tors. eta vs tors. theta energy: 10.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1403.721436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.721436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.721436 (E_RNA)
where:
Base-Base interactions energy: -955.423
where: short stacking energy: -422.010
Base-Backbone interact. energy: -0.745
local terms energy: -447.554007
where:
bonds (distance) C4'-P energy: -82.390
bonds (distance) P-C4' energy: -81.412
flat angles C4'-P-C4' energy: -93.414
flat angles P-C4'-P energy: -56.832
tors. eta vs tors. theta energy: -133.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1335.324313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.324313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.324313 (E_RNA)
where:
Base-Base interactions energy: -923.630
where: short stacking energy: -388.152
Base-Backbone interact. energy: 2.557
local terms energy: -414.250704
where:
bonds (distance) C4'-P energy: -89.570
bonds (distance) P-C4' energy: -64.508
flat angles C4'-P-C4' energy: -96.098
flat angles P-C4'-P energy: -47.363
tors. eta vs tors. theta energy: -116.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1272.703629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.703629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.703629 (E_RNA)
where:
Base-Base interactions energy: -874.681
where: short stacking energy: -386.445
Base-Backbone interact. energy: -2.419
local terms energy: -395.602957
where:
bonds (distance) C4'-P energy: -69.225
bonds (distance) P-C4' energy: -77.263
flat angles C4'-P-C4' energy: -88.067
flat angles P-C4'-P energy: -45.312
tors. eta vs tors. theta energy: -115.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1126.251818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.251818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.251818 (E_RNA)
where:
Base-Base interactions energy: -733.618
where: short stacking energy: -330.402
Base-Backbone interact. energy: -2.142
local terms energy: -390.492204
where:
bonds (distance) C4'-P energy: -86.004
bonds (distance) P-C4' energy: -75.149
flat angles C4'-P-C4' energy: -81.662
flat angles P-C4'-P energy: -53.016
tors. eta vs tors. theta energy: -94.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1142.554795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.554795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.554795 (E_RNA)
where:
Base-Base interactions energy: -771.548
where: short stacking energy: -325.203
Base-Backbone interact. energy: -1.253
local terms energy: -369.754657
where:
bonds (distance) C4'-P energy: -68.654
bonds (distance) P-C4' energy: -83.998
flat angles C4'-P-C4' energy: -73.557
flat angles P-C4'-P energy: -48.818
tors. eta vs tors. theta energy: -94.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -838.133016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.133016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.133016 (E_RNA)
where:
Base-Base interactions energy: -538.524
where: short stacking energy: -233.970
Base-Backbone interact. energy: -0.418
local terms energy: -299.191619
where:
bonds (distance) C4'-P energy: -67.984
bonds (distance) P-C4' energy: -61.117
flat angles C4'-P-C4' energy: -65.388
flat angles P-C4'-P energy: -47.857
tors. eta vs tors. theta energy: -56.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -743.335652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.335652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.335652 (E_RNA)
where:
Base-Base interactions energy: -443.021
where: short stacking energy: -200.312
Base-Backbone interact. energy: -0.912
local terms energy: -299.402670
where:
bonds (distance) C4'-P energy: -64.053
bonds (distance) P-C4' energy: -70.427
flat angles C4'-P-C4' energy: -71.317
flat angles P-C4'-P energy: -38.204
tors. eta vs tors. theta energy: -55.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -445.410329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.410329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.410329 (E_RNA)
where:
Base-Base interactions energy: -205.154
where: short stacking energy: -99.240
Base-Backbone interact. energy: -1.896
local terms energy: -238.360548
where:
bonds (distance) C4'-P energy: -58.006
bonds (distance) P-C4' energy: -86.720
flat angles C4'-P-C4' energy: -59.163
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -359.237203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.237203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.237203 (E_RNA)
where:
Base-Base interactions energy: -110.931
where: short stacking energy: -95.981
Base-Backbone interact. energy: 3.175
local terms energy: -251.481418
where:
bonds (distance) C4'-P energy: -68.346
bonds (distance) P-C4' energy: -69.836
flat angles C4'-P-C4' energy: -76.862
flat angles P-C4'-P energy: -35.667
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -329.837174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.837174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.837174 (E_RNA)
where:
Base-Base interactions energy: -111.902
where: short stacking energy: -90.174
Base-Backbone interact. energy: 3.406
local terms energy: -221.341844
where:
bonds (distance) C4'-P energy: -68.161
bonds (distance) P-C4' energy: -75.762
flat angles C4'-P-C4' energy: -54.588
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: 4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1392.391906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.391906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.391906 (E_RNA)
where:
Base-Base interactions energy: -938.321
where: short stacking energy: -407.526
Base-Backbone interact. energy: -0.283
local terms energy: -453.787260
where:
bonds (distance) C4'-P energy: -82.985
bonds (distance) P-C4' energy: -89.762
flat angles C4'-P-C4' energy: -91.428
flat angles P-C4'-P energy: -62.679
tors. eta vs tors. theta energy: -126.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1343.766099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.766099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.766099 (E_RNA)
where:
Base-Base interactions energy: -926.781
where: short stacking energy: -372.750
Base-Backbone interact. energy: -0.413
local terms energy: -416.571909
where:
bonds (distance) C4'-P energy: -81.244
bonds (distance) P-C4' energy: -83.038
flat angles C4'-P-C4' energy: -90.394
flat angles P-C4'-P energy: -53.172
tors. eta vs tors. theta energy: -108.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1280.334900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.334900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.334900 (E_RNA)
where:
Base-Base interactions energy: -870.611
where: short stacking energy: -360.625
Base-Backbone interact. energy: -0.779
local terms energy: -408.944435
where:
bonds (distance) C4'-P energy: -70.110
bonds (distance) P-C4' energy: -81.949
flat angles C4'-P-C4' energy: -87.076
flat angles P-C4'-P energy: -54.948
tors. eta vs tors. theta energy: -114.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1116.998736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.998736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.998736 (E_RNA)
where:
Base-Base interactions energy: -743.716
where: short stacking energy: -323.716
Base-Backbone interact. energy: -0.424
local terms energy: -372.858865
where:
bonds (distance) C4'-P energy: -73.525
bonds (distance) P-C4' energy: -68.085
flat angles C4'-P-C4' energy: -83.635
flat angles P-C4'-P energy: -50.318
tors. eta vs tors. theta energy: -97.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1121.186476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.186476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.186476 (E_RNA)
where:
Base-Base interactions energy: -755.689
where: short stacking energy: -313.652
Base-Backbone interact. energy: -1.620
local terms energy: -363.876673
where:
bonds (distance) C4'-P energy: -69.997
bonds (distance) P-C4' energy: -72.071
flat angles C4'-P-C4' energy: -89.542
flat angles P-C4'-P energy: -47.890
tors. eta vs tors. theta energy: -84.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -845.855486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.855486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.855486 (E_RNA)
where:
Base-Base interactions energy: -532.443
where: short stacking energy: -225.291
Base-Backbone interact. energy: -1.772
local terms energy: -311.640696
where:
bonds (distance) C4'-P energy: -69.667
bonds (distance) P-C4' energy: -75.300
flat angles C4'-P-C4' energy: -76.418
flat angles P-C4'-P energy: -35.715
tors. eta vs tors. theta energy: -54.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -660.384108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.384108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.384108 (E_RNA)
where:
Base-Base interactions energy: -384.789
where: short stacking energy: -193.493
Base-Backbone interact. energy: -0.731
local terms energy: -274.864381
where:
bonds (distance) C4'-P energy: -62.938
bonds (distance) P-C4' energy: -71.148
flat angles C4'-P-C4' energy: -70.255
flat angles P-C4'-P energy: -41.614
tors. eta vs tors. theta energy: -28.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -403.804913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.804913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.804913 (E_RNA)
where:
Base-Base interactions energy: -162.581
where: short stacking energy: -121.386
Base-Backbone interact. energy: -1.170
local terms energy: -240.054776
where:
bonds (distance) C4'-P energy: -65.232
bonds (distance) P-C4' energy: -64.957
flat angles C4'-P-C4' energy: -71.153
flat angles P-C4'-P energy: -41.685
tors. eta vs tors. theta energy: 2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -371.741745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.741745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.741745 (E_RNA)
where:
Base-Base interactions energy: -139.538
where: short stacking energy: -112.219
Base-Backbone interact. energy: 1.517
local terms energy: -233.721109
where:
bonds (distance) C4'-P energy: -60.035
bonds (distance) P-C4' energy: -84.107
flat angles C4'-P-C4' energy: -80.201
flat angles P-C4'-P energy: -21.450
tors. eta vs tors. theta energy: 12.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -312.485532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.485532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.485532 (E_RNA)
where:
Base-Base interactions energy: -104.394
where: short stacking energy: -81.306
Base-Backbone interact. energy: -1.009
local terms energy: -207.081905
where:
bonds (distance) C4'-P energy: -63.928
bonds (distance) P-C4' energy: -70.367
flat angles C4'-P-C4' energy: -49.161
flat angles P-C4'-P energy: -32.098
tors. eta vs tors. theta energy: 8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1417.299532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.299532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.299532 (E_RNA)
where:
Base-Base interactions energy: -981.668
where: short stacking energy: -415.948
Base-Backbone interact. energy: -1.464
local terms energy: -434.168082
where:
bonds (distance) C4'-P energy: -78.729
bonds (distance) P-C4' energy: -79.313
flat angles C4'-P-C4' energy: -94.308
flat angles P-C4'-P energy: -58.850
tors. eta vs tors. theta energy: -122.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1356.923619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.923619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.923619 (E_RNA)
where:
Base-Base interactions energy: -958.203
where: short stacking energy: -402.076
Base-Backbone interact. energy: -3.492
local terms energy: -395.228898
where:
bonds (distance) C4'-P energy: -71.396
bonds (distance) P-C4' energy: -73.991
flat angles C4'-P-C4' energy: -75.289
flat angles P-C4'-P energy: -54.411
tors. eta vs tors. theta energy: -120.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1277.325932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.325932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.325932 (E_RNA)
where:
Base-Base interactions energy: -867.276
where: short stacking energy: -364.080
Base-Backbone interact. energy: 0.047
local terms energy: -410.097073
where:
bonds (distance) C4'-P energy: -85.282
bonds (distance) P-C4' energy: -70.720
flat angles C4'-P-C4' energy: -93.552
flat angles P-C4'-P energy: -48.741
tors. eta vs tors. theta energy: -111.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1114.476455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.476455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.476455 (E_RNA)
where:
Base-Base interactions energy: -743.801
where: short stacking energy: -328.038
Base-Backbone interact. energy: -0.593
local terms energy: -370.082505
where:
bonds (distance) C4'-P energy: -69.961
bonds (distance) P-C4' energy: -79.686
flat angles C4'-P-C4' energy: -83.172
flat angles P-C4'-P energy: -50.517
tors. eta vs tors. theta energy: -86.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1117.498968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.498968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.498968 (E_RNA)
where:
Base-Base interactions energy: -761.720
where: short stacking energy: -324.258
Base-Backbone interact. energy: -0.751
local terms energy: -355.028454
where:
bonds (distance) C4'-P energy: -63.162
bonds (distance) P-C4' energy: -84.896
flat angles C4'-P-C4' energy: -78.613
flat angles P-C4'-P energy: -45.093
tors. eta vs tors. theta energy: -83.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -844.399438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.399438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.399438 (E_RNA)
where:
Base-Base interactions energy: -527.801
where: short stacking energy: -220.674
Base-Backbone interact. energy: -0.489
local terms energy: -316.109865
where:
bonds (distance) C4'-P energy: -70.732
bonds (distance) P-C4' energy: -72.676
flat angles C4'-P-C4' energy: -74.272
flat angles P-C4'-P energy: -42.322
tors. eta vs tors. theta energy: -56.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -708.342319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.342319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.342319 (E_RNA)
where:
Base-Base interactions energy: -410.958
where: short stacking energy: -221.917
Base-Backbone interact. energy: -0.595
local terms energy: -296.788994
where:
bonds (distance) C4'-P energy: -82.546
bonds (distance) P-C4' energy: -65.873
flat angles C4'-P-C4' energy: -73.949
flat angles P-C4'-P energy: -30.769
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -433.701994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.701994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.701994 (E_RNA)
where:
Base-Base interactions energy: -192.393
where: short stacking energy: -113.156
Base-Backbone interact. energy: 0.066
local terms energy: -241.374620
where:
bonds (distance) C4'-P energy: -64.473
bonds (distance) P-C4' energy: -79.589
flat angles C4'-P-C4' energy: -71.359
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -7.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -351.234995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.234995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.234995 (E_RNA)
where:
Base-Base interactions energy: -121.972
where: short stacking energy: -97.771
Base-Backbone interact. energy: -3.124
local terms energy: -226.139021
where:
bonds (distance) C4'-P energy: -66.410
bonds (distance) P-C4' energy: -64.087
flat angles C4'-P-C4' energy: -59.742
flat angles P-C4'-P energy: -39.200
tors. eta vs tors. theta energy: 3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -334.763796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.763796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.763796 (E_RNA)
where:
Base-Base interactions energy: -137.806
where: short stacking energy: -75.080
Base-Backbone interact. energy: 2.329
local terms energy: -199.286346
where:
bonds (distance) C4'-P energy: -56.977
bonds (distance) P-C4' energy: -76.102
flat angles C4'-P-C4' energy: -52.108
flat angles P-C4'-P energy: -31.828
tors. eta vs tors. theta energy: 17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1398.947729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.947729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.947729 (E_RNA)
where:
Base-Base interactions energy: -961.031
where: short stacking energy: -418.459
Base-Backbone interact. energy: -2.181
local terms energy: -435.734984
where:
bonds (distance) C4'-P energy: -76.972
bonds (distance) P-C4' energy: -71.849
flat angles C4'-P-C4' energy: -92.537
flat angles P-C4'-P energy: -61.653
tors. eta vs tors. theta energy: -132.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1341.136860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.136860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.136860 (E_RNA)
where:
Base-Base interactions energy: -938.007
where: short stacking energy: -382.458
Base-Backbone interact. energy: -4.139
local terms energy: -398.990160
where:
bonds (distance) C4'-P energy: -73.418
bonds (distance) P-C4' energy: -73.775
flat angles C4'-P-C4' energy: -88.442
flat angles P-C4'-P energy: -52.356
tors. eta vs tors. theta energy: -110.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1251.731455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.731455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.731455 (E_RNA)
where:
Base-Base interactions energy: -864.546
where: short stacking energy: -361.147
Base-Backbone interact. energy: 0.414
local terms energy: -387.599607
where:
bonds (distance) C4'-P energy: -71.550
bonds (distance) P-C4' energy: -76.482
flat angles C4'-P-C4' energy: -84.090
flat angles P-C4'-P energy: -42.378
tors. eta vs tors. theta energy: -113.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1087.545561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.545561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.545561 (E_RNA)
where:
Base-Base interactions energy: -719.421
where: short stacking energy: -316.282
Base-Backbone interact. energy: 0.690
local terms energy: -368.813800
where:
bonds (distance) C4'-P energy: -69.066
bonds (distance) P-C4' energy: -80.789
flat angles C4'-P-C4' energy: -79.073
flat angles P-C4'-P energy: -58.365
tors. eta vs tors. theta energy: -81.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1123.642769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.642769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.642769 (E_RNA)
where:
Base-Base interactions energy: -757.764
where: short stacking energy: -318.585
Base-Backbone interact. energy: -2.198
local terms energy: -363.680427
where:
bonds (distance) C4'-P energy: -70.750
bonds (distance) P-C4' energy: -77.080
flat angles C4'-P-C4' energy: -74.822
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -93.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -836.553202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.553202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.553202 (E_RNA)
where:
Base-Base interactions energy: -536.418
where: short stacking energy: -218.571
Base-Backbone interact. energy: -0.949
local terms energy: -299.186530
where:
bonds (distance) C4'-P energy: -67.121
bonds (distance) P-C4' energy: -68.802
flat angles C4'-P-C4' energy: -66.734
flat angles P-C4'-P energy: -42.275
tors. eta vs tors. theta energy: -54.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -737.759001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.759001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.759001 (E_RNA)
where:
Base-Base interactions energy: -436.860
where: short stacking energy: -182.464
Base-Backbone interact. energy: 0.464
local terms energy: -301.363060
where:
bonds (distance) C4'-P energy: -75.464
bonds (distance) P-C4' energy: -67.511
flat angles C4'-P-C4' energy: -70.752
flat angles P-C4'-P energy: -52.981
tors. eta vs tors. theta energy: -34.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -478.441238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.441238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.441238 (E_RNA)
where:
Base-Base interactions energy: -231.325
where: short stacking energy: -133.532
Base-Backbone interact. energy: -2.496
local terms energy: -244.620581
where:
bonds (distance) C4'-P energy: -72.335
bonds (distance) P-C4' energy: -53.586
flat angles C4'-P-C4' energy: -73.586
flat angles P-C4'-P energy: -42.338
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -332.065145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.065145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.065145 (E_RNA)
where:
Base-Base interactions energy: -132.477
where: short stacking energy: -93.440
Base-Backbone interact. energy: 9.090
local terms energy: -208.677823
where:
bonds (distance) C4'-P energy: -61.513
bonds (distance) P-C4' energy: -59.402
flat angles C4'-P-C4' energy: -55.754
flat angles P-C4'-P energy: -39.655
tors. eta vs tors. theta energy: 7.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -305.146389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.146389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.146389 (E_RNA)
where:
Base-Base interactions energy: -81.925
where: short stacking energy: -64.954
Base-Backbone interact. energy: -1.669
local terms energy: -221.552542
where:
bonds (distance) C4'-P energy: -78.235
bonds (distance) P-C4' energy: -69.682
flat angles C4'-P-C4' energy: -48.273
flat angles P-C4'-P energy: -33.004
tors. eta vs tors. theta energy: 7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1404.159903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.159903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.159903 (E_RNA)
where:
Base-Base interactions energy: -966.075
where: short stacking energy: -428.253
Base-Backbone interact. energy: -2.845
local terms energy: -435.239520
where:
bonds (distance) C4'-P energy: -81.911
bonds (distance) P-C4' energy: -81.241
flat angles C4'-P-C4' energy: -92.086
flat angles P-C4'-P energy: -55.276
tors. eta vs tors. theta energy: -124.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1328.626084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.626084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.626084 (E_RNA)
where:
Base-Base interactions energy: -929.013
where: short stacking energy: -376.338
Base-Backbone interact. energy: -1.867
local terms energy: -397.746051
where:
bonds (distance) C4'-P energy: -66.465
bonds (distance) P-C4' energy: -79.904
flat angles C4'-P-C4' energy: -91.698
flat angles P-C4'-P energy: -56.704
tors. eta vs tors. theta energy: -102.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1244.435576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.435576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.435576 (E_RNA)
where:
Base-Base interactions energy: -848.937
where: short stacking energy: -354.425
Base-Backbone interact. energy: 0.274
local terms energy: -395.772446
where:
bonds (distance) C4'-P energy: -76.588
bonds (distance) P-C4' energy: -71.445
flat angles C4'-P-C4' energy: -90.828
flat angles P-C4'-P energy: -52.149
tors. eta vs tors. theta energy: -104.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1156.965512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.965512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.965512 (E_RNA)
where:
Base-Base interactions energy: -791.866
where: short stacking energy: -354.112
Base-Backbone interact. energy: 0.202
local terms energy: -365.301626
where:
bonds (distance) C4'-P energy: -67.562
bonds (distance) P-C4' energy: -71.039
flat angles C4'-P-C4' energy: -67.463
flat angles P-C4'-P energy: -54.555
tors. eta vs tors. theta energy: -104.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1126.681611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.681611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.681611 (E_RNA)
where:
Base-Base interactions energy: -757.435
where: short stacking energy: -342.089
Base-Backbone interact. energy: -0.081
local terms energy: -369.165775
where:
bonds (distance) C4'-P energy: -75.407
bonds (distance) P-C4' energy: -74.484
flat angles C4'-P-C4' energy: -86.868
flat angles P-C4'-P energy: -42.841
tors. eta vs tors. theta energy: -89.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -851.233798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.233798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.233798 (E_RNA)
where:
Base-Base interactions energy: -518.447
where: short stacking energy: -225.193
Base-Backbone interact. energy: 1.624
local terms energy: -334.411255
where:
bonds (distance) C4'-P energy: -74.131
bonds (distance) P-C4' energy: -77.043
flat angles C4'-P-C4' energy: -75.763
flat angles P-C4'-P energy: -49.529
tors. eta vs tors. theta energy: -57.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -756.778117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.778117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.778117 (E_RNA)
where:
Base-Base interactions energy: -467.232
where: short stacking energy: -196.136
Base-Backbone interact. energy: -1.781
local terms energy: -287.764909
where:
bonds (distance) C4'-P energy: -53.936
bonds (distance) P-C4' energy: -72.172
flat angles C4'-P-C4' energy: -71.148
flat angles P-C4'-P energy: -44.182
tors. eta vs tors. theta energy: -46.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -528.128569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.128569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.128569 (E_RNA)
where:
Base-Base interactions energy: -275.580
where: short stacking energy: -150.925
Base-Backbone interact. energy: 0.167
local terms energy: -252.715377
where:
bonds (distance) C4'-P energy: -60.431
bonds (distance) P-C4' energy: -67.036
flat angles C4'-P-C4' energy: -57.675
flat angles P-C4'-P energy: -48.580
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -343.129756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.129756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.129756 (E_RNA)
where:
Base-Base interactions energy: -128.749
where: short stacking energy: -107.529
Base-Backbone interact. energy: 4.140
local terms energy: -218.519938
where:
bonds (distance) C4'-P energy: -67.850
bonds (distance) P-C4' energy: -58.845
flat angles C4'-P-C4' energy: -67.032
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: 4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -319.705981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.705981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.705981 (E_RNA)
where:
Base-Base interactions energy: -99.651
where: short stacking energy: -81.350
Base-Backbone interact. energy: -1.263
local terms energy: -218.792066
where:
bonds (distance) C4'-P energy: -76.590
bonds (distance) P-C4' energy: -79.223
flat angles C4'-P-C4' energy: -47.599
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: 9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1391.710905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.710905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.710905 (E_RNA)
where:
Base-Base interactions energy: -974.049
where: short stacking energy: -395.920
Base-Backbone interact. energy: -3.584
local terms energy: -414.077689
where:
bonds (distance) C4'-P energy: -73.623
bonds (distance) P-C4' energy: -64.687
flat angles C4'-P-C4' energy: -97.244
flat angles P-C4'-P energy: -56.413
tors. eta vs tors. theta energy: -122.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1338.669972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.669972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.669972 (E_RNA)
where:
Base-Base interactions energy: -932.537
where: short stacking energy: -378.288
Base-Backbone interact. energy: -1.649
local terms energy: -404.484336
where:
bonds (distance) C4'-P energy: -73.589
bonds (distance) P-C4' energy: -79.683
flat angles C4'-P-C4' energy: -80.769
flat angles P-C4'-P energy: -63.565
tors. eta vs tors. theta energy: -106.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1199.489089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.489089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.489089 (E_RNA)
where:
Base-Base interactions energy: -794.988
where: short stacking energy: -336.638
Base-Backbone interact. energy: -1.829
local terms energy: -402.671854
where:
bonds (distance) C4'-P energy: -75.875
bonds (distance) P-C4' energy: -85.380
flat angles C4'-P-C4' energy: -80.078
flat angles P-C4'-P energy: -59.641
tors. eta vs tors. theta energy: -101.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1216.189899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.189899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.189899 (E_RNA)
where:
Base-Base interactions energy: -846.865
where: short stacking energy: -349.307
Base-Backbone interact. energy: -0.535
local terms energy: -368.790047
where:
bonds (distance) C4'-P energy: -68.698
bonds (distance) P-C4' energy: -53.213
flat angles C4'-P-C4' energy: -82.686
flat angles P-C4'-P energy: -58.052
tors. eta vs tors. theta energy: -106.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1178.230696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.230696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.230696 (E_RNA)
where:
Base-Base interactions energy: -799.415
where: short stacking energy: -333.316
Base-Backbone interact. energy: 2.286
local terms energy: -381.102286
where:
bonds (distance) C4'-P energy: -76.664
bonds (distance) P-C4' energy: -71.387
flat angles C4'-P-C4' energy: -80.736
flat angles P-C4'-P energy: -49.363
tors. eta vs tors. theta energy: -102.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -851.933606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.933606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.933606 (E_RNA)
where:
Base-Base interactions energy: -534.749
where: short stacking energy: -247.337
Base-Backbone interact. energy: -1.547
local terms energy: -315.637404
where:
bonds (distance) C4'-P energy: -68.009
bonds (distance) P-C4' energy: -72.929
flat angles C4'-P-C4' energy: -73.867
flat angles P-C4'-P energy: -44.609
tors. eta vs tors. theta energy: -56.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -762.531661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.531661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.531661 (E_RNA)
where:
Base-Base interactions energy: -460.092
where: short stacking energy: -196.489
Base-Backbone interact. energy: -2.381
local terms energy: -300.058355
where:
bonds (distance) C4'-P energy: -59.376
bonds (distance) P-C4' energy: -79.193
flat angles C4'-P-C4' energy: -69.800
flat angles P-C4'-P energy: -43.845
tors. eta vs tors. theta energy: -47.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -602.034243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.034243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.034243 (E_RNA)
where:
Base-Base interactions energy: -334.156
where: short stacking energy: -180.354
Base-Backbone interact. energy: 1.163
local terms energy: -269.041480
where:
bonds (distance) C4'-P energy: -64.472
bonds (distance) P-C4' energy: -66.726
flat angles C4'-P-C4' energy: -63.003
flat angles P-C4'-P energy: -45.733
tors. eta vs tors. theta energy: -29.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -342.283412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.283412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.283412 (E_RNA)
where:
Base-Base interactions energy: -128.689
where: short stacking energy: -93.731
Base-Backbone interact. energy: 5.103
local terms energy: -218.697385
where:
bonds (distance) C4'-P energy: -70.033
bonds (distance) P-C4' energy: -72.036
flat angles C4'-P-C4' energy: -53.028
flat angles P-C4'-P energy: -28.204
tors. eta vs tors. theta energy: 4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -317.121915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.121915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.121915 (E_RNA)
where:
Base-Base interactions energy: -91.201
where: short stacking energy: -84.434
Base-Backbone interact. energy: 1.519
local terms energy: -227.440235
where:
bonds (distance) C4'-P energy: -58.431
bonds (distance) P-C4' energy: -68.406
flat angles C4'-P-C4' energy: -61.495
flat angles P-C4'-P energy: -43.650
tors. eta vs tors. theta energy: 4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1398.188937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.188937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.188937 (E_RNA)
where:
Base-Base interactions energy: -963.861
where: short stacking energy: -396.838
Base-Backbone interact. energy: 0.799
local terms energy: -435.126522
where:
bonds (distance) C4'-P energy: -87.926
bonds (distance) P-C4' energy: -74.594
flat angles C4'-P-C4' energy: -87.019
flat angles P-C4'-P energy: -59.315
tors. eta vs tors. theta energy: -126.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1330.075941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.075941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.075941 (E_RNA)
where:
Base-Base interactions energy: -929.879
where: short stacking energy: -363.322
Base-Backbone interact. energy: -2.080
local terms energy: -398.116773
where:
bonds (distance) C4'-P energy: -66.081
bonds (distance) P-C4' energy: -82.150
flat angles C4'-P-C4' energy: -91.618
flat angles P-C4'-P energy: -53.726
tors. eta vs tors. theta energy: -104.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1231.812146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.812146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.812146 (E_RNA)
where:
Base-Base interactions energy: -820.833
where: short stacking energy: -379.414
Base-Backbone interact. energy: 0.355
local terms energy: -411.334151
where:
bonds (distance) C4'-P energy: -75.581
bonds (distance) P-C4' energy: -75.122
flat angles C4'-P-C4' energy: -89.139
flat angles P-C4'-P energy: -57.118
tors. eta vs tors. theta energy: -114.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1209.310196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.310196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.310196 (E_RNA)
where:
Base-Base interactions energy: -813.255
where: short stacking energy: -347.243
Base-Backbone interact. energy: -0.605
local terms energy: -395.450416
where:
bonds (distance) C4'-P energy: -69.645
bonds (distance) P-C4' energy: -87.199
flat angles C4'-P-C4' energy: -76.690
flat angles P-C4'-P energy: -61.972
tors. eta vs tors. theta energy: -99.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1136.361322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.361322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.361322 (E_RNA)
where:
Base-Base interactions energy: -785.871
where: short stacking energy: -342.118
Base-Backbone interact. energy: 3.524
local terms energy: -354.013660
where:
bonds (distance) C4'-P energy: -73.936
bonds (distance) P-C4' energy: -57.444
flat angles C4'-P-C4' energy: -77.089
flat angles P-C4'-P energy: -48.026
tors. eta vs tors. theta energy: -97.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -867.428177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.428177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.428177 (E_RNA)
where:
Base-Base interactions energy: -554.659
where: short stacking energy: -250.902
Base-Backbone interact. energy: -2.220
local terms energy: -310.549120
where:
bonds (distance) C4'-P energy: -55.578
bonds (distance) P-C4' energy: -80.075
flat angles C4'-P-C4' energy: -64.176
flat angles P-C4'-P energy: -51.320
tors. eta vs tors. theta energy: -59.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -782.144995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.144995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.144995 (E_RNA)
where:
Base-Base interactions energy: -476.430
where: short stacking energy: -236.001
Base-Backbone interact. energy: 0.684
local terms energy: -306.398670
where:
bonds (distance) C4'-P energy: -74.717
bonds (distance) P-C4' energy: -73.704
flat angles C4'-P-C4' energy: -69.690
flat angles P-C4'-P energy: -31.853
tors. eta vs tors. theta energy: -56.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -592.744170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.744170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.744170 (E_RNA)
where:
Base-Base interactions energy: -316.672
where: short stacking energy: -155.637
Base-Backbone interact. energy: -2.352
local terms energy: -273.719477
where:
bonds (distance) C4'-P energy: -74.763
bonds (distance) P-C4' energy: -66.429
flat angles C4'-P-C4' energy: -70.863
flat angles P-C4'-P energy: -39.506
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -372.226195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.226195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.226195 (E_RNA)
where:
Base-Base interactions energy: -149.085
where: short stacking energy: -102.105
Base-Backbone interact. energy: 5.100
local terms energy: -228.241024
where:
bonds (distance) C4'-P energy: -79.801
bonds (distance) P-C4' energy: -62.938
flat angles C4'-P-C4' energy: -59.369
flat angles P-C4'-P energy: -39.798
tors. eta vs tors. theta energy: 13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -309.369707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.369707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.369707 (E_RNA)
where:
Base-Base interactions energy: -112.862
where: short stacking energy: -93.935
Base-Backbone interact. energy: -1.079
local terms energy: -195.428014
where:
bonds (distance) C4'-P energy: -74.148
bonds (distance) P-C4' energy: -66.544
flat angles C4'-P-C4' energy: -32.896
flat angles P-C4'-P energy: -34.501
tors. eta vs tors. theta energy: 12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1401.458527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.458527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.458527 (E_RNA)
where:
Base-Base interactions energy: -955.817
where: short stacking energy: -413.106
Base-Backbone interact. energy: -1.712
local terms energy: -443.928916
where:
bonds (distance) C4'-P energy: -81.271
bonds (distance) P-C4' energy: -80.411
flat angles C4'-P-C4' energy: -96.122
flat angles P-C4'-P energy: -57.810
tors. eta vs tors. theta energy: -128.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1324.193290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.193290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.193290 (E_RNA)
where:
Base-Base interactions energy: -910.004
where: short stacking energy: -362.304
Base-Backbone interact. energy: -0.259
local terms energy: -413.930390
where:
bonds (distance) C4'-P energy: -87.407
bonds (distance) P-C4' energy: -81.815
flat angles C4'-P-C4' energy: -88.876
flat angles P-C4'-P energy: -49.638
tors. eta vs tors. theta energy: -106.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1258.101897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.101897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.101897 (E_RNA)
where:
Base-Base interactions energy: -858.557
where: short stacking energy: -367.075
Base-Backbone interact. energy: -0.163
local terms energy: -399.382038
where:
bonds (distance) C4'-P energy: -77.816
bonds (distance) P-C4' energy: -77.565
flat angles C4'-P-C4' energy: -83.207
flat angles P-C4'-P energy: -48.586
tors. eta vs tors. theta energy: -112.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1156.135568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.135568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.135568 (E_RNA)
where:
Base-Base interactions energy: -803.815
where: short stacking energy: -339.116
Base-Backbone interact. energy: -2.296
local terms energy: -350.024648
where:
bonds (distance) C4'-P energy: -64.625
bonds (distance) P-C4' energy: -67.003
flat angles C4'-P-C4' energy: -81.439
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -93.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1152.178096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.178096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.178096 (E_RNA)
where:
Base-Base interactions energy: -789.377
where: short stacking energy: -320.153
Base-Backbone interact. energy: -1.727
local terms energy: -361.074175
where:
bonds (distance) C4'-P energy: -75.499
bonds (distance) P-C4' energy: -55.393
flat angles C4'-P-C4' energy: -86.951
flat angles P-C4'-P energy: -47.896
tors. eta vs tors. theta energy: -95.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -867.506890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.506890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.506890 (E_RNA)
where:
Base-Base interactions energy: -590.629
where: short stacking energy: -244.572
Base-Backbone interact. energy: 4.566
local terms energy: -281.443437
where:
bonds (distance) C4'-P energy: -51.398
bonds (distance) P-C4' energy: -62.609
flat angles C4'-P-C4' energy: -72.899
flat angles P-C4'-P energy: -48.927
tors. eta vs tors. theta energy: -45.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -674.331348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.331348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.331348 (E_RNA)
where:
Base-Base interactions energy: -387.251
where: short stacking energy: -168.290
Base-Backbone interact. energy: -0.132
local terms energy: -286.948635
where:
bonds (distance) C4'-P energy: -72.325
bonds (distance) P-C4' energy: -71.278
flat angles C4'-P-C4' energy: -70.853
flat angles P-C4'-P energy: -44.403
tors. eta vs tors. theta energy: -28.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -608.266519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.266519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.266519 (E_RNA)
where:
Base-Base interactions energy: -369.341
where: short stacking energy: -157.618
Base-Backbone interact. energy: 4.344
local terms energy: -243.270340
where:
bonds (distance) C4'-P energy: -54.296
bonds (distance) P-C4' energy: -69.049
flat angles C4'-P-C4' energy: -59.757
flat angles P-C4'-P energy: -45.625
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -336.561445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.561445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.561445 (E_RNA)
where:
Base-Base interactions energy: -134.982
where: short stacking energy: -88.042
Base-Backbone interact. energy: 1.744
local terms energy: -203.323242
where:
bonds (distance) C4'-P energy: -59.316
bonds (distance) P-C4' energy: -61.204
flat angles C4'-P-C4' energy: -46.196
flat angles P-C4'-P energy: -46.934
tors. eta vs tors. theta energy: 10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -306.133371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.133371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.133371 (E_RNA)
where:
Base-Base interactions energy: -97.701
where: short stacking energy: -79.604
Base-Backbone interact. energy: 2.014
local terms energy: -210.446700
where:
bonds (distance) C4'-P energy: -64.450
bonds (distance) P-C4' energy: -59.755
flat angles C4'-P-C4' energy: -62.893
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: 9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1366.073578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.073578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.073578 (E_RNA)
where:
Base-Base interactions energy: -924.970
where: short stacking energy: -382.819
Base-Backbone interact. energy: -1.184
local terms energy: -439.920103
where:
bonds (distance) C4'-P energy: -86.223
bonds (distance) P-C4' energy: -68.844
flat angles C4'-P-C4' energy: -93.364
flat angles P-C4'-P energy: -68.401
tors. eta vs tors. theta energy: -123.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1339.143853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.143853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.143853 (E_RNA)
where:
Base-Base interactions energy: -934.196
where: short stacking energy: -359.569
Base-Backbone interact. energy: 0.121
local terms energy: -405.068805
where:
bonds (distance) C4'-P energy: -64.182
bonds (distance) P-C4' energy: -80.892
flat angles C4'-P-C4' energy: -89.103
flat angles P-C4'-P energy: -58.220
tors. eta vs tors. theta energy: -112.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1284.470671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.470671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.470671 (E_RNA)
where:
Base-Base interactions energy: -871.011
where: short stacking energy: -376.422
Base-Backbone interact. energy: -0.959
local terms energy: -412.500353
where:
bonds (distance) C4'-P energy: -64.539
bonds (distance) P-C4' energy: -82.897
flat angles C4'-P-C4' energy: -84.312
flat angles P-C4'-P energy: -53.759
tors. eta vs tors. theta energy: -126.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1129.174576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.174576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.174576 (E_RNA)
where:
Base-Base interactions energy: -747.673
where: short stacking energy: -322.634
Base-Backbone interact. energy: 0.509
local terms energy: -382.010376
where:
bonds (distance) C4'-P energy: -64.414
bonds (distance) P-C4' energy: -81.391
flat angles C4'-P-C4' energy: -87.860
flat angles P-C4'-P energy: -57.069
tors. eta vs tors. theta energy: -91.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1103.820048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.820048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.820048 (E_RNA)
where:
Base-Base interactions energy: -736.785
where: short stacking energy: -336.857
Base-Backbone interact. energy: -1.364
local terms energy: -365.670795
where:
bonds (distance) C4'-P energy: -60.692
bonds (distance) P-C4' energy: -72.040
flat angles C4'-P-C4' energy: -88.068
flat angles P-C4'-P energy: -39.386
tors. eta vs tors. theta energy: -105.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -875.540108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.540108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.540108 (E_RNA)
where:
Base-Base interactions energy: -559.015
where: short stacking energy: -242.548
Base-Backbone interact. energy: 1.928
local terms energy: -318.453506
where:
bonds (distance) C4'-P energy: -57.322
bonds (distance) P-C4' energy: -72.541
flat angles C4'-P-C4' energy: -73.869
flat angles P-C4'-P energy: -64.723
tors. eta vs tors. theta energy: -49.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -660.727428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.727428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.727428 (E_RNA)
where:
Base-Base interactions energy: -367.970
where: short stacking energy: -189.168
Base-Backbone interact. energy: -2.557
local terms energy: -290.200749
where:
bonds (distance) C4'-P energy: -72.735
bonds (distance) P-C4' energy: -88.333
flat angles C4'-P-C4' energy: -69.288
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -42.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -624.923728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.923728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.923728 (E_RNA)
where:
Base-Base interactions energy: -359.372
where: short stacking energy: -190.841
Base-Backbone interact. energy: 0.699
local terms energy: -266.251119
where:
bonds (distance) C4'-P energy: -69.071
bonds (distance) P-C4' energy: -73.814
flat angles C4'-P-C4' energy: -54.186
flat angles P-C4'-P energy: -39.702
tors. eta vs tors. theta energy: -29.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -358.619590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.619590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.619590 (E_RNA)
where:
Base-Base interactions energy: -135.427
where: short stacking energy: -88.921
Base-Backbone interact. energy: -0.764
local terms energy: -222.428208
where:
bonds (distance) C4'-P energy: -63.176
bonds (distance) P-C4' energy: -65.492
flat angles C4'-P-C4' energy: -56.109
flat angles P-C4'-P energy: -35.538
tors. eta vs tors. theta energy: -2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -299.989373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.989373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.989373 (E_RNA)
where:
Base-Base interactions energy: -90.579
where: short stacking energy: -72.316
Base-Backbone interact. energy: 3.830
local terms energy: -213.240088
where:
bonds (distance) C4'-P energy: -64.723
bonds (distance) P-C4' energy: -65.251
flat angles C4'-P-C4' energy: -61.320
flat angles P-C4'-P energy: -35.036
tors. eta vs tors. theta energy: 13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1375.604457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.604457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.604457 (E_RNA)
where:
Base-Base interactions energy: -945.855
where: short stacking energy: -414.225
Base-Backbone interact. energy: -1.981
local terms energy: -427.767729
where:
bonds (distance) C4'-P energy: -71.704
bonds (distance) P-C4' energy: -73.432
flat angles C4'-P-C4' energy: -90.350
flat angles P-C4'-P energy: -57.638
tors. eta vs tors. theta energy: -134.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1353.119307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.119307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.119307 (E_RNA)
where:
Base-Base interactions energy: -966.459
where: short stacking energy: -383.966
Base-Backbone interact. energy: -2.177
local terms energy: -384.483111
where:
bonds (distance) C4'-P energy: -67.024
bonds (distance) P-C4' energy: -71.532
flat angles C4'-P-C4' energy: -75.671
flat angles P-C4'-P energy: -56.009
tors. eta vs tors. theta energy: -114.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1241.911362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.911362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.911362 (E_RNA)
where:
Base-Base interactions energy: -850.922
where: short stacking energy: -351.681
Base-Backbone interact. energy: 1.017
local terms energy: -392.006481
where:
bonds (distance) C4'-P energy: -84.622
bonds (distance) P-C4' energy: -75.635
flat angles C4'-P-C4' energy: -75.032
flat angles P-C4'-P energy: -50.837
tors. eta vs tors. theta energy: -105.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1187.671366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.671366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.671366 (E_RNA)
where:
Base-Base interactions energy: -807.706
where: short stacking energy: -338.531
Base-Backbone interact. energy: -3.285
local terms energy: -376.680302
where:
bonds (distance) C4'-P energy: -66.751
bonds (distance) P-C4' energy: -75.466
flat angles C4'-P-C4' energy: -81.600
flat angles P-C4'-P energy: -49.093
tors. eta vs tors. theta energy: -103.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1094.421407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.421407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.421407 (E_RNA)
where:
Base-Base interactions energy: -734.275
where: short stacking energy: -323.569
Base-Backbone interact. energy: -0.700
local terms energy: -359.446266
where:
bonds (distance) C4'-P energy: -74.163
bonds (distance) P-C4' energy: -73.661
flat angles C4'-P-C4' energy: -82.343
flat angles P-C4'-P energy: -43.850
tors. eta vs tors. theta energy: -85.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -873.176029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.176029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.176029 (E_RNA)
where:
Base-Base interactions energy: -546.403
where: short stacking energy: -255.300
Base-Backbone interact. energy: -1.006
local terms energy: -325.766445
where:
bonds (distance) C4'-P energy: -75.524
bonds (distance) P-C4' energy: -82.335
flat angles C4'-P-C4' energy: -66.805
flat angles P-C4'-P energy: -48.882
tors. eta vs tors. theta energy: -52.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -675.825642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.825642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.825642 (E_RNA)
where:
Base-Base interactions energy: -370.165
where: short stacking energy: -193.863
Base-Backbone interact. energy: 0.283
local terms energy: -305.943135
where:
bonds (distance) C4'-P energy: -76.353
bonds (distance) P-C4' energy: -79.773
flat angles C4'-P-C4' energy: -65.756
flat angles P-C4'-P energy: -51.632
tors. eta vs tors. theta energy: -32.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -626.027621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.027621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.027621 (E_RNA)
where:
Base-Base interactions energy: -348.266
where: short stacking energy: -159.213
Base-Backbone interact. energy: 2.767
local terms energy: -280.528358
where:
bonds (distance) C4'-P energy: -75.537
bonds (distance) P-C4' energy: -69.867
flat angles C4'-P-C4' energy: -71.022
flat angles P-C4'-P energy: -41.655
tors. eta vs tors. theta energy: -22.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -402.452886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.452886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.452886 (E_RNA)
where:
Base-Base interactions energy: -163.892
where: short stacking energy: -107.595
Base-Backbone interact. energy: -3.006
local terms energy: -235.554538
where:
bonds (distance) C4'-P energy: -68.357
bonds (distance) P-C4' energy: -70.359
flat angles C4'-P-C4' energy: -57.582
flat angles P-C4'-P energy: -38.437
tors. eta vs tors. theta energy: -0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -313.589179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.589179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.589179 (E_RNA)
where:
Base-Base interactions energy: -126.395
where: short stacking energy: -87.305
Base-Backbone interact. energy: -2.408
local terms energy: -184.786989
where:
bonds (distance) C4'-P energy: -58.304
bonds (distance) P-C4' energy: -78.361
flat angles C4'-P-C4' energy: -60.501
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: 32.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1391.694692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.694692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.694692 (E_RNA)
where:
Base-Base interactions energy: -933.908
where: short stacking energy: -403.009
Base-Backbone interact. energy: -1.532
local terms energy: -456.254701
where:
bonds (distance) C4'-P energy: -86.994
bonds (distance) P-C4' energy: -83.172
flat angles C4'-P-C4' energy: -93.920
flat angles P-C4'-P energy: -66.844
tors. eta vs tors. theta energy: -125.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1323.621596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.621596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.621596 (E_RNA)
where:
Base-Base interactions energy: -924.719
where: short stacking energy: -353.424
Base-Backbone interact. energy: 6.045
local terms energy: -404.947939
where:
bonds (distance) C4'-P energy: -81.259
bonds (distance) P-C4' energy: -76.828
flat angles C4'-P-C4' energy: -85.203
flat angles P-C4'-P energy: -55.505
tors. eta vs tors. theta energy: -106.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1286.058444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.058444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.058444 (E_RNA)
where:
Base-Base interactions energy: -857.685
where: short stacking energy: -379.326
Base-Backbone interact. energy: -0.485
local terms energy: -427.888582
where:
bonds (distance) C4'-P energy: -79.648
bonds (distance) P-C4' energy: -78.443
flat angles C4'-P-C4' energy: -92.867
flat angles P-C4'-P energy: -56.236
tors. eta vs tors. theta energy: -120.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1182.687658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.687658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.687658 (E_RNA)
where:
Base-Base interactions energy: -799.932
where: short stacking energy: -343.593
Base-Backbone interact. energy: -1.063
local terms energy: -381.693201
where:
bonds (distance) C4'-P energy: -73.789
bonds (distance) P-C4' energy: -72.870
flat angles C4'-P-C4' energy: -91.581
flat angles P-C4'-P energy: -44.055
tors. eta vs tors. theta energy: -99.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1085.258328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.258328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.258328 (E_RNA)
where:
Base-Base interactions energy: -717.709
where: short stacking energy: -324.865
Base-Backbone interact. energy: -2.522
local terms energy: -365.026765
where:
bonds (distance) C4'-P energy: -65.862
bonds (distance) P-C4' energy: -62.359
flat angles C4'-P-C4' energy: -91.000
flat angles P-C4'-P energy: -55.480
tors. eta vs tors. theta energy: -90.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -799.461557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.461557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.461557 (E_RNA)
where:
Base-Base interactions energy: -508.969
where: short stacking energy: -230.555
Base-Backbone interact. energy: -2.635
local terms energy: -287.857550
where:
bonds (distance) C4'-P energy: -63.298
bonds (distance) P-C4' energy: -71.189
flat angles C4'-P-C4' energy: -68.122
flat angles P-C4'-P energy: -47.323
tors. eta vs tors. theta energy: -37.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -720.386211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.386211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.386211 (E_RNA)
where:
Base-Base interactions energy: -462.983
where: short stacking energy: -198.253
Base-Backbone interact. energy: -1.697
local terms energy: -255.706280
where:
bonds (distance) C4'-P energy: -61.851
bonds (distance) P-C4' energy: -55.729
flat angles C4'-P-C4' energy: -65.930
flat angles P-C4'-P energy: -38.231
tors. eta vs tors. theta energy: -33.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -649.301203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.301203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.301203 (E_RNA)
where:
Base-Base interactions energy: -378.743
where: short stacking energy: -190.198
Base-Backbone interact. energy: -4.888
local terms energy: -265.669912
where:
bonds (distance) C4'-P energy: -68.743
bonds (distance) P-C4' energy: -71.512
flat angles C4'-P-C4' energy: -65.742
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: -31.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -432.209679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.209679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.209679 (E_RNA)
where:
Base-Base interactions energy: -191.910
where: short stacking energy: -117.494
Base-Backbone interact. energy: -0.397
local terms energy: -239.903386
where:
bonds (distance) C4'-P energy: -72.892
bonds (distance) P-C4' energy: -73.452
flat angles C4'-P-C4' energy: -63.049
flat angles P-C4'-P energy: -30.891
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -329.188503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.188503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.188503 (E_RNA)
where:
Base-Base interactions energy: -109.141
where: short stacking energy: -99.948
Base-Backbone interact. energy: -1.206
local terms energy: -218.841162
where:
bonds (distance) C4'-P energy: -67.532
bonds (distance) P-C4' energy: -68.117
flat angles C4'-P-C4' energy: -49.600
flat angles P-C4'-P energy: -35.252
tors. eta vs tors. theta energy: 1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1391.063617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.063617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.063617 (E_RNA)
where:
Base-Base interactions energy: -967.883
where: short stacking energy: -393.427
Base-Backbone interact. energy: -1.287
local terms energy: -421.893240
where:
bonds (distance) C4'-P energy: -70.966
bonds (distance) P-C4' energy: -84.878
flat angles C4'-P-C4' energy: -84.570
flat angles P-C4'-P energy: -59.069
tors. eta vs tors. theta energy: -122.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1339.207443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.207443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.207443 (E_RNA)
where:
Base-Base interactions energy: -924.516
where: short stacking energy: -380.933
Base-Backbone interact. energy: -2.252
local terms energy: -412.438934
where:
bonds (distance) C4'-P energy: -80.383
bonds (distance) P-C4' energy: -76.683
flat angles C4'-P-C4' energy: -87.605
flat angles P-C4'-P energy: -59.355
tors. eta vs tors. theta energy: -108.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1283.478628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.478628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.478628 (E_RNA)
where:
Base-Base interactions energy: -876.872
where: short stacking energy: -383.097
Base-Backbone interact. energy: -2.647
local terms energy: -403.960187
where:
bonds (distance) C4'-P energy: -68.648
bonds (distance) P-C4' energy: -72.918
flat angles C4'-P-C4' energy: -80.542
flat angles P-C4'-P energy: -60.212
tors. eta vs tors. theta energy: -121.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1167.100919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.100919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.100919 (E_RNA)
where:
Base-Base interactions energy: -787.957
where: short stacking energy: -325.360
Base-Backbone interact. energy: 0.225
local terms energy: -379.368672
where:
bonds (distance) C4'-P energy: -72.681
bonds (distance) P-C4' energy: -77.946
flat angles C4'-P-C4' energy: -80.127
flat angles P-C4'-P energy: -48.460
tors. eta vs tors. theta energy: -100.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1073.103421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.103421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.103421 (E_RNA)
where:
Base-Base interactions energy: -697.326
where: short stacking energy: -316.155
Base-Backbone interact. energy: -3.159
local terms energy: -372.618181
where:
bonds (distance) C4'-P energy: -72.041
bonds (distance) P-C4' energy: -78.564
flat angles C4'-P-C4' energy: -70.903
flat angles P-C4'-P energy: -52.865
tors. eta vs tors. theta energy: -98.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -814.876754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.876754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.876754 (E_RNA)
where:
Base-Base interactions energy: -513.857
where: short stacking energy: -204.671
Base-Backbone interact. energy: -1.866
local terms energy: -299.153799
where:
bonds (distance) C4'-P energy: -72.711
bonds (distance) P-C4' energy: -78.737
flat angles C4'-P-C4' energy: -72.046
flat angles P-C4'-P energy: -31.510
tors. eta vs tors. theta energy: -44.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -739.576266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.576266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.576266 (E_RNA)
where:
Base-Base interactions energy: -444.243
where: short stacking energy: -199.882
Base-Backbone interact. energy: -0.839
local terms energy: -294.494859
where:
bonds (distance) C4'-P energy: -69.902
bonds (distance) P-C4' energy: -69.875
flat angles C4'-P-C4' energy: -60.385
flat angles P-C4'-P energy: -46.419
tors. eta vs tors. theta energy: -47.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -599.743699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.743699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.743699 (E_RNA)
where:
Base-Base interactions energy: -327.124
where: short stacking energy: -175.770
Base-Backbone interact. energy: -1.690
local terms energy: -270.930219
where:
bonds (distance) C4'-P energy: -68.782
bonds (distance) P-C4' energy: -70.413
flat angles C4'-P-C4' energy: -58.497
flat angles P-C4'-P energy: -49.990
tors. eta vs tors. theta energy: -23.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -361.703286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.703286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.703286 (E_RNA)
where:
Base-Base interactions energy: -140.791
where: short stacking energy: -119.959
Base-Backbone interact. energy: 0.133
local terms energy: -221.045168
where:
bonds (distance) C4'-P energy: -71.564
bonds (distance) P-C4' energy: -61.103
flat angles C4'-P-C4' energy: -55.354
flat angles P-C4'-P energy: -44.315
tors. eta vs tors. theta energy: 11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -307.662603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.662603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.662603 (E_RNA)
where:
Base-Base interactions energy: -106.788
where: short stacking energy: -96.780
Base-Backbone interact. energy: -1.388
local terms energy: -199.486529
where:
bonds (distance) C4'-P energy: -71.644
bonds (distance) P-C4' energy: -73.372
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -34.221
tors. eta vs tors. theta energy: 26.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1394.408011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.408011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.408011 (E_RNA)
where:
Base-Base interactions energy: -928.042
where: short stacking energy: -416.223
Base-Backbone interact. energy: -0.667
local terms energy: -465.699727
where:
bonds (distance) C4'-P energy: -81.247
bonds (distance) P-C4' energy: -92.197
flat angles C4'-P-C4' energy: -90.462
flat angles P-C4'-P energy: -70.743
tors. eta vs tors. theta energy: -131.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1327.337601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.337601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.337601 (E_RNA)
where:
Base-Base interactions energy: -924.269
where: short stacking energy: -371.849
Base-Backbone interact. energy: -1.151
local terms energy: -401.917487
where:
bonds (distance) C4'-P energy: -77.593
bonds (distance) P-C4' energy: -73.666
flat angles C4'-P-C4' energy: -82.500
flat angles P-C4'-P energy: -58.467
tors. eta vs tors. theta energy: -109.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1289.097799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.097799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.097799 (E_RNA)
where:
Base-Base interactions energy: -888.881
where: short stacking energy: -379.505
Base-Backbone interact. energy: -1.357
local terms energy: -398.859077
where:
bonds (distance) C4'-P energy: -72.082
bonds (distance) P-C4' energy: -78.631
flat angles C4'-P-C4' energy: -78.716
flat angles P-C4'-P energy: -53.586
tors. eta vs tors. theta energy: -115.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1165.097456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.097456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.097456 (E_RNA)
where:
Base-Base interactions energy: -806.215
where: short stacking energy: -315.260
Base-Backbone interact. energy: -0.327
local terms energy: -358.555613
where:
bonds (distance) C4'-P energy: -74.695
bonds (distance) P-C4' energy: -67.663
flat angles C4'-P-C4' energy: -80.837
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -93.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1074.063720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.063720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.063720 (E_RNA)
where:
Base-Base interactions energy: -707.374
where: short stacking energy: -303.401
Base-Backbone interact. energy: -3.269
local terms energy: -363.420673
where:
bonds (distance) C4'-P energy: -84.875
bonds (distance) P-C4' energy: -62.932
flat angles C4'-P-C4' energy: -79.273
flat angles P-C4'-P energy: -48.145
tors. eta vs tors. theta energy: -88.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -893.819521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.819521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.819521 (E_RNA)
where:
Base-Base interactions energy: -578.038
where: short stacking energy: -252.107
Base-Backbone interact. energy: -1.375
local terms energy: -314.406625
where:
bonds (distance) C4'-P energy: -69.284
bonds (distance) P-C4' energy: -69.333
flat angles C4'-P-C4' energy: -70.805
flat angles P-C4'-P energy: -42.374
tors. eta vs tors. theta energy: -62.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -752.517634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.517634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.517634 (E_RNA)
where:
Base-Base interactions energy: -453.320
where: short stacking energy: -214.418
Base-Backbone interact. energy: -1.313
local terms energy: -297.883800
where:
bonds (distance) C4'-P energy: -67.503
bonds (distance) P-C4' energy: -70.059
flat angles C4'-P-C4' energy: -73.829
flat angles P-C4'-P energy: -43.624
tors. eta vs tors. theta energy: -42.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -578.599712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.599712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.599712 (E_RNA)
where:
Base-Base interactions energy: -334.859
where: short stacking energy: -168.506
Base-Backbone interact. energy: 7.114
local terms energy: -250.854021
where:
bonds (distance) C4'-P energy: -66.145
bonds (distance) P-C4' energy: -62.438
flat angles C4'-P-C4' energy: -67.178
flat angles P-C4'-P energy: -34.629
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -344.996660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.996660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.996660 (E_RNA)
where:
Base-Base interactions energy: -134.993
where: short stacking energy: -115.757
Base-Backbone interact. energy: -1.852
local terms energy: -208.151309
where:
bonds (distance) C4'-P energy: -65.486
bonds (distance) P-C4' energy: -70.932
flat angles C4'-P-C4' energy: -45.576
flat angles P-C4'-P energy: -32.658
tors. eta vs tors. theta energy: 6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -335.818840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.818840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.818840 (E_RNA)
where:
Base-Base interactions energy: -116.716
where: short stacking energy: -98.606
Base-Backbone interact. energy: -1.674
local terms energy: -217.428896
where:
bonds (distance) C4'-P energy: -66.024
bonds (distance) P-C4' energy: -75.288
flat angles C4'-P-C4' energy: -57.717
flat angles P-C4'-P energy: -30.364
tors. eta vs tors. theta energy: 11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1406.359997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.359997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.359997 (E_RNA)
where:
Base-Base interactions energy: -957.386
where: short stacking energy: -411.935
Base-Backbone interact. energy: 2.923
local terms energy: -451.897248
where:
bonds (distance) C4'-P energy: -80.746
bonds (distance) P-C4' energy: -79.717
flat angles C4'-P-C4' energy: -97.025
flat angles P-C4'-P energy: -67.081
tors. eta vs tors. theta energy: -127.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1342.539880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.539880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.539880 (E_RNA)
where:
Base-Base interactions energy: -929.988
where: short stacking energy: -368.559
Base-Backbone interact. energy: -2.402
local terms energy: -410.149680
where:
bonds (distance) C4'-P energy: -85.237
bonds (distance) P-C4' energy: -75.091
flat angles C4'-P-C4' energy: -84.286
flat angles P-C4'-P energy: -56.667
tors. eta vs tors. theta energy: -108.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1302.202879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.202879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.202879 (E_RNA)
where:
Base-Base interactions energy: -905.676
where: short stacking energy: -371.299
Base-Backbone interact. energy: -0.289
local terms energy: -396.237704
where:
bonds (distance) C4'-P energy: -68.750
bonds (distance) P-C4' energy: -77.921
flat angles C4'-P-C4' energy: -72.229
flat angles P-C4'-P energy: -60.020
tors. eta vs tors. theta energy: -117.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1193.496313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.496313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.496313 (E_RNA)
where:
Base-Base interactions energy: -805.854
where: short stacking energy: -324.702
Base-Backbone interact. energy: -2.391
local terms energy: -385.251313
where:
bonds (distance) C4'-P energy: -68.960
bonds (distance) P-C4' energy: -72.477
flat angles C4'-P-C4' energy: -79.300
flat angles P-C4'-P energy: -54.980
tors. eta vs tors. theta energy: -109.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1080.219836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.219836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.219836 (E_RNA)
where:
Base-Base interactions energy: -730.592
where: short stacking energy: -296.777
Base-Backbone interact. energy: -1.002
local terms energy: -348.626215
where:
bonds (distance) C4'-P energy: -79.295
bonds (distance) P-C4' energy: -65.382
flat angles C4'-P-C4' energy: -73.385
flat angles P-C4'-P energy: -50.670
tors. eta vs tors. theta energy: -79.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -885.698460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.698460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.698460 (E_RNA)
where:
Base-Base interactions energy: -576.585
where: short stacking energy: -258.411
Base-Backbone interact. energy: -1.782
local terms energy: -307.331439
where:
bonds (distance) C4'-P energy: -61.753
bonds (distance) P-C4' energy: -73.044
flat angles C4'-P-C4' energy: -68.665
flat angles P-C4'-P energy: -43.949
tors. eta vs tors. theta energy: -59.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -779.311757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.311757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.311757 (E_RNA)
where:
Base-Base interactions energy: -480.781
where: short stacking energy: -228.503
Base-Backbone interact. energy: -1.624
local terms energy: -296.906663
where:
bonds (distance) C4'-P energy: -57.497
bonds (distance) P-C4' energy: -67.837
flat angles C4'-P-C4' energy: -69.237
flat angles P-C4'-P energy: -49.745
tors. eta vs tors. theta energy: -52.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -597.315156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.315156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.315156 (E_RNA)
where:
Base-Base interactions energy: -328.321
where: short stacking energy: -177.286
Base-Backbone interact. energy: 1.507
local terms energy: -270.501226
where:
bonds (distance) C4'-P energy: -66.547
bonds (distance) P-C4' energy: -64.746
flat angles C4'-P-C4' energy: -62.420
flat angles P-C4'-P energy: -39.394
tors. eta vs tors. theta energy: -37.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -411.186587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.186587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.186587 (E_RNA)
where:
Base-Base interactions energy: -159.681
where: short stacking energy: -112.293
Base-Backbone interact. energy: -0.570
local terms energy: -250.935502
where:
bonds (distance) C4'-P energy: -68.312
bonds (distance) P-C4' energy: -67.582
flat angles C4'-P-C4' energy: -62.105
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -318.891517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.891517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.891517 (E_RNA)
where:
Base-Base interactions energy: -100.423
where: short stacking energy: -83.066
Base-Backbone interact. energy: -1.774
local terms energy: -216.694766
where:
bonds (distance) C4'-P energy: -60.972
bonds (distance) P-C4' energy: -68.716
flat angles C4'-P-C4' energy: -59.276
flat angles P-C4'-P energy: -40.740
tors. eta vs tors. theta energy: 13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1421.206881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.206881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.206881 (E_RNA)
where:
Base-Base interactions energy: -966.948
where: short stacking energy: -414.174
Base-Backbone interact. energy: 0.094
local terms energy: -454.352654
where:
bonds (distance) C4'-P energy: -77.878
bonds (distance) P-C4' energy: -85.333
flat angles C4'-P-C4' energy: -94.152
flat angles P-C4'-P energy: -67.225
tors. eta vs tors. theta energy: -129.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1349.785480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.785480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.785480 (E_RNA)
where:
Base-Base interactions energy: -925.676
where: short stacking energy: -383.425
Base-Backbone interact. energy: -1.264
local terms energy: -422.846184
where:
bonds (distance) C4'-P energy: -79.554
bonds (distance) P-C4' energy: -84.781
flat angles C4'-P-C4' energy: -87.580
flat angles P-C4'-P energy: -65.005
tors. eta vs tors. theta energy: -105.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1283.720905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.720905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.720905 (E_RNA)
where:
Base-Base interactions energy: -870.231
where: short stacking energy: -356.569
Base-Backbone interact. energy: -1.640
local terms energy: -411.849705
where:
bonds (distance) C4'-P energy: -76.636
bonds (distance) P-C4' energy: -79.956
flat angles C4'-P-C4' energy: -86.935
flat angles P-C4'-P energy: -53.845
tors. eta vs tors. theta energy: -114.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1188.770374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.770374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.770374 (E_RNA)
where:
Base-Base interactions energy: -802.837
where: short stacking energy: -357.546
Base-Backbone interact. energy: 0.590
local terms energy: -386.522965
where:
bonds (distance) C4'-P energy: -66.584
bonds (distance) P-C4' energy: -79.389
flat angles C4'-P-C4' energy: -81.757
flat angles P-C4'-P energy: -52.109
tors. eta vs tors. theta energy: -106.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1052.126061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.126061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.126061 (E_RNA)
where:
Base-Base interactions energy: -701.869
where: short stacking energy: -303.915
Base-Backbone interact. energy: -0.665
local terms energy: -349.591895
where:
bonds (distance) C4'-P energy: -66.473
bonds (distance) P-C4' energy: -68.441
flat angles C4'-P-C4' energy: -77.262
flat angles P-C4'-P energy: -57.464
tors. eta vs tors. theta energy: -79.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -948.709933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.709933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.709933 (E_RNA)
where:
Base-Base interactions energy: -621.329
where: short stacking energy: -265.120
Base-Backbone interact. energy: -0.951
local terms energy: -326.429723
where:
bonds (distance) C4'-P energy: -73.327
bonds (distance) P-C4' energy: -71.289
flat angles C4'-P-C4' energy: -75.887
flat angles P-C4'-P energy: -46.263
tors. eta vs tors. theta energy: -59.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -767.700388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.700388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.700388 (E_RNA)
where:
Base-Base interactions energy: -464.377
where: short stacking energy: -228.276
Base-Backbone interact. energy: 4.262
local terms energy: -307.585188
where:
bonds (distance) C4'-P energy: -76.111
bonds (distance) P-C4' energy: -74.527
flat angles C4'-P-C4' energy: -62.394
flat angles P-C4'-P energy: -41.769
tors. eta vs tors. theta energy: -52.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -537.724794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.724794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.724794 (E_RNA)
where:
Base-Base interactions energy: -266.515
where: short stacking energy: -160.471
Base-Backbone interact. energy: -0.438
local terms energy: -270.771835
where:
bonds (distance) C4'-P energy: -59.568
bonds (distance) P-C4' energy: -63.163
flat angles C4'-P-C4' energy: -75.700
flat angles P-C4'-P energy: -45.196
tors. eta vs tors. theta energy: -27.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -362.159581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.159581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.159581 (E_RNA)
where:
Base-Base interactions energy: -137.234
where: short stacking energy: -117.234
Base-Backbone interact. energy: 2.806
local terms energy: -227.732401
where:
bonds (distance) C4'-P energy: -54.713
bonds (distance) P-C4' energy: -77.759
flat angles C4'-P-C4' energy: -53.069
flat angles P-C4'-P energy: -42.592
tors. eta vs tors. theta energy: 0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -314.073632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.073632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.073632 (E_RNA)
where:
Base-Base interactions energy: -87.709
where: short stacking energy: -72.640
Base-Backbone interact. energy: 2.615
local terms energy: -228.979869
where:
bonds (distance) C4'-P energy: -71.049
bonds (distance) P-C4' energy: -78.091
flat angles C4'-P-C4' energy: -55.960
flat angles P-C4'-P energy: -30.376
tors. eta vs tors. theta energy: 6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1386.353777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.353777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.353777 (E_RNA)
where:
Base-Base interactions energy: -955.395
where: short stacking energy: -397.725
Base-Backbone interact. energy: -1.322
local terms energy: -429.637390
where:
bonds (distance) C4'-P energy: -72.876
bonds (distance) P-C4' energy: -83.997
flat angles C4'-P-C4' energy: -89.602
flat angles P-C4'-P energy: -59.358
tors. eta vs tors. theta energy: -123.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1341.770394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.770394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.770394 (E_RNA)
where:
Base-Base interactions energy: -920.729
where: short stacking energy: -369.375
Base-Backbone interact. energy: 2.171
local terms energy: -423.212661
where:
bonds (distance) C4'-P energy: -81.895
bonds (distance) P-C4' energy: -76.151
flat angles C4'-P-C4' energy: -91.626
flat angles P-C4'-P energy: -56.583
tors. eta vs tors. theta energy: -116.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1287.089858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.089858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.089858 (E_RNA)
where:
Base-Base interactions energy: -862.121
where: short stacking energy: -362.229
Base-Backbone interact. energy: -2.688
local terms energy: -422.280008
where:
bonds (distance) C4'-P energy: -76.203
bonds (distance) P-C4' energy: -77.004
flat angles C4'-P-C4' energy: -93.060
flat angles P-C4'-P energy: -61.336
tors. eta vs tors. theta energy: -114.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1215.536037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.536037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.536037 (E_RNA)
where:
Base-Base interactions energy: -811.136
where: short stacking energy: -341.994
Base-Backbone interact. energy: -3.756
local terms energy: -400.644409
where:
bonds (distance) C4'-P energy: -75.339
bonds (distance) P-C4' energy: -77.980
flat angles C4'-P-C4' energy: -78.801
flat angles P-C4'-P energy: -57.564
tors. eta vs tors. theta energy: -110.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1111.685910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.685910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.685910 (E_RNA)
where:
Base-Base interactions energy: -738.150
where: short stacking energy: -331.585
Base-Backbone interact. energy: -2.437
local terms energy: -371.098807
where:
bonds (distance) C4'-P energy: -67.553
bonds (distance) P-C4' energy: -76.181
flat angles C4'-P-C4' energy: -68.034
flat angles P-C4'-P energy: -60.814
tors. eta vs tors. theta energy: -98.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -971.113380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.113380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.113380 (E_RNA)
where:
Base-Base interactions energy: -627.196
where: short stacking energy: -273.082
Base-Backbone interact. energy: 0.090
local terms energy: -344.007587
where:
bonds (distance) C4'-P energy: -67.241
bonds (distance) P-C4' energy: -67.020
flat angles C4'-P-C4' energy: -83.337
flat angles P-C4'-P energy: -54.573
tors. eta vs tors. theta energy: -71.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -778.490662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.490662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.490662 (E_RNA)
where:
Base-Base interactions energy: -497.034
where: short stacking energy: -223.486
Base-Backbone interact. energy: 2.244
local terms energy: -283.700277
where:
bonds (distance) C4'-P energy: -52.330
bonds (distance) P-C4' energy: -70.263
flat angles C4'-P-C4' energy: -64.862
flat angles P-C4'-P energy: -42.450
tors. eta vs tors. theta energy: -53.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -569.044089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.044089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.044089 (E_RNA)
where:
Base-Base interactions energy: -293.692
where: short stacking energy: -169.197
Base-Backbone interact. energy: -0.094
local terms energy: -275.258915
where:
bonds (distance) C4'-P energy: -71.931
bonds (distance) P-C4' energy: -75.840
flat angles C4'-P-C4' energy: -75.686
flat angles P-C4'-P energy: -35.492
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -350.765439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.765439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.765439 (E_RNA)
where:
Base-Base interactions energy: -138.518
where: short stacking energy: -96.453
Base-Backbone interact. energy: 2.603
local terms energy: -214.851186
where:
bonds (distance) C4'-P energy: -63.298
bonds (distance) P-C4' energy: -72.068
flat angles C4'-P-C4' energy: -54.160
flat angles P-C4'-P energy: -39.398
tors. eta vs tors. theta energy: 14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -316.854109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.854109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.854109 (E_RNA)
where:
Base-Base interactions energy: -108.692
where: short stacking energy: -88.553
Base-Backbone interact. energy: 0.134
local terms energy: -208.296463
where:
bonds (distance) C4'-P energy: -65.993
bonds (distance) P-C4' energy: -64.770
flat angles C4'-P-C4' energy: -67.267
flat angles P-C4'-P energy: -26.832
tors. eta vs tors. theta energy: 16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1390.818917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.818917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.818917 (E_RNA)
where:
Base-Base interactions energy: -941.936
where: short stacking energy: -396.534
Base-Backbone interact. energy: -1.211
local terms energy: -447.672133
where:
bonds (distance) C4'-P energy: -85.534
bonds (distance) P-C4' energy: -85.304
flat angles C4'-P-C4' energy: -88.007
flat angles P-C4'-P energy: -66.047
tors. eta vs tors. theta energy: -122.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1348.085019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.085019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.085019 (E_RNA)
where:
Base-Base interactions energy: -934.633
where: short stacking energy: -378.358
Base-Backbone interact. energy: -4.538
local terms energy: -408.914132
where:
bonds (distance) C4'-P energy: -78.801
bonds (distance) P-C4' energy: -70.453
flat angles C4'-P-C4' energy: -87.575
flat angles P-C4'-P energy: -61.730
tors. eta vs tors. theta energy: -110.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1298.036845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.036845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.036845 (E_RNA)
where:
Base-Base interactions energy: -875.715
where: short stacking energy: -360.312
Base-Backbone interact. energy: -1.027
local terms energy: -421.294842
where:
bonds (distance) C4'-P energy: -83.182
bonds (distance) P-C4' energy: -72.780
flat angles C4'-P-C4' energy: -89.630
flat angles P-C4'-P energy: -57.295
tors. eta vs tors. theta energy: -118.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1207.665026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.665026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.665026 (E_RNA)
where:
Base-Base interactions energy: -813.823
where: short stacking energy: -344.212
Base-Backbone interact. energy: -2.914
local terms energy: -390.928109
where:
bonds (distance) C4'-P energy: -67.986
bonds (distance) P-C4' energy: -79.062
flat angles C4'-P-C4' energy: -87.104
flat angles P-C4'-P energy: -56.303
tors. eta vs tors. theta energy: -100.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1093.148921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.148921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.148921 (E_RNA)
where:
Base-Base interactions energy: -720.033
where: short stacking energy: -330.803
Base-Backbone interact. energy: -3.601
local terms energy: -369.514522
where:
bonds (distance) C4'-P energy: -63.528
bonds (distance) P-C4' energy: -72.024
flat angles C4'-P-C4' energy: -81.701
flat angles P-C4'-P energy: -52.649
tors. eta vs tors. theta energy: -99.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -906.602709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.602709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.602709 (E_RNA)
where:
Base-Base interactions energy: -579.760
where: short stacking energy: -236.319
Base-Backbone interact. energy: -3.493
local terms energy: -323.349875
where:
bonds (distance) C4'-P energy: -71.118
bonds (distance) P-C4' energy: -81.189
flat angles C4'-P-C4' energy: -64.914
flat angles P-C4'-P energy: -61.254
tors. eta vs tors. theta energy: -44.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -735.154163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.154163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.154163 (E_RNA)
where:
Base-Base interactions energy: -450.691
where: short stacking energy: -204.384
Base-Backbone interact. energy: -0.379
local terms energy: -284.083882
where:
bonds (distance) C4'-P energy: -71.324
bonds (distance) P-C4' energy: -63.996
flat angles C4'-P-C4' energy: -65.895
flat angles P-C4'-P energy: -39.271
tors. eta vs tors. theta energy: -43.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -598.273890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.273890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.273890 (E_RNA)
where:
Base-Base interactions energy: -343.437
where: short stacking energy: -196.742
Base-Backbone interact. energy: -2.335
local terms energy: -252.502150
where:
bonds (distance) C4'-P energy: -49.482
bonds (distance) P-C4' energy: -66.488
flat angles C4'-P-C4' energy: -55.834
flat angles P-C4'-P energy: -47.653
tors. eta vs tors. theta energy: -33.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -433.993564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.993564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.993564 (E_RNA)
where:
Base-Base interactions energy: -202.115
where: short stacking energy: -142.246
Base-Backbone interact. energy: -0.477
local terms energy: -231.402120
where:
bonds (distance) C4'-P energy: -62.708
bonds (distance) P-C4' energy: -75.096
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -8.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -336.087703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.087703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.087703 (E_RNA)
where:
Base-Base interactions energy: -122.970
where: short stacking energy: -86.670
Base-Backbone interact. energy: -1.057
local terms energy: -212.060493
where:
bonds (distance) C4'-P energy: -67.040
bonds (distance) P-C4' energy: -62.354
flat angles C4'-P-C4' energy: -58.003
flat angles P-C4'-P energy: -37.333
tors. eta vs tors. theta energy: 12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1375.506782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.506782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.506782 (E_RNA)
where:
Base-Base interactions energy: -970.213
where: short stacking energy: -393.989
Base-Backbone interact. energy: -1.554
local terms energy: -403.740600
where:
bonds (distance) C4'-P energy: -72.998
bonds (distance) P-C4' energy: -70.803
flat angles C4'-P-C4' energy: -82.989
flat angles P-C4'-P energy: -58.432
tors. eta vs tors. theta energy: -118.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1357.415450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.415450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.415450 (E_RNA)
where:
Base-Base interactions energy: -943.404
where: short stacking energy: -407.859
Base-Backbone interact. energy: -0.946
local terms energy: -413.065302
where:
bonds (distance) C4'-P energy: -71.572
bonds (distance) P-C4' energy: -75.366
flat angles C4'-P-C4' energy: -90.875
flat angles P-C4'-P energy: -52.596
tors. eta vs tors. theta energy: -122.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1320.199175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.199175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.199175 (E_RNA)
where:
Base-Base interactions energy: -903.789
where: short stacking energy: -392.310
Base-Backbone interact. energy: -1.382
local terms energy: -415.027683
where:
bonds (distance) C4'-P energy: -74.980
bonds (distance) P-C4' energy: -74.290
flat angles C4'-P-C4' energy: -84.512
flat angles P-C4'-P energy: -53.831
tors. eta vs tors. theta energy: -127.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1198.345742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.345742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.345742 (E_RNA)
where:
Base-Base interactions energy: -800.360
where: short stacking energy: -329.793
Base-Backbone interact. energy: -2.400
local terms energy: -395.586157
where:
bonds (distance) C4'-P energy: -79.809
bonds (distance) P-C4' energy: -78.624
flat angles C4'-P-C4' energy: -84.773
flat angles P-C4'-P energy: -52.165
tors. eta vs tors. theta energy: -100.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1095.289993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.289993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.289993 (E_RNA)
where:
Base-Base interactions energy: -731.785
where: short stacking energy: -329.424
Base-Backbone interact. energy: -0.758
local terms energy: -362.746592
where:
bonds (distance) C4'-P energy: -62.296
bonds (distance) P-C4' energy: -66.769
flat angles C4'-P-C4' energy: -85.011
flat angles P-C4'-P energy: -57.028
tors. eta vs tors. theta energy: -91.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -930.716359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.716359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.716359 (E_RNA)
where:
Base-Base interactions energy: -614.325
where: short stacking energy: -256.554
Base-Backbone interact. energy: 0.144
local terms energy: -316.535119
where:
bonds (distance) C4'-P energy: -72.856
bonds (distance) P-C4' energy: -70.098
flat angles C4'-P-C4' energy: -69.641
flat angles P-C4'-P energy: -50.705
tors. eta vs tors. theta energy: -53.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -736.996970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.996970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.996970 (E_RNA)
where:
Base-Base interactions energy: -446.781
where: short stacking energy: -194.274
Base-Backbone interact. energy: -1.360
local terms energy: -288.855449
where:
bonds (distance) C4'-P energy: -62.921
bonds (distance) P-C4' energy: -75.908
flat angles C4'-P-C4' energy: -70.876
flat angles P-C4'-P energy: -40.909
tors. eta vs tors. theta energy: -38.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -550.829586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.829586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.829586 (E_RNA)
where:
Base-Base interactions energy: -297.969
where: short stacking energy: -165.674
Base-Backbone interact. energy: -1.918
local terms energy: -250.942670
where:
bonds (distance) C4'-P energy: -39.070
bonds (distance) P-C4' energy: -77.317
flat angles C4'-P-C4' energy: -71.064
flat angles P-C4'-P energy: -37.601
tors. eta vs tors. theta energy: -25.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -393.541975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.541975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.541975 (E_RNA)
where:
Base-Base interactions energy: -156.760
where: short stacking energy: -111.082
Base-Backbone interact. energy: -0.781
local terms energy: -236.000072
where:
bonds (distance) C4'-P energy: -67.542
bonds (distance) P-C4' energy: -67.839
flat angles C4'-P-C4' energy: -66.172
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -324.543346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.543346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.543346 (E_RNA)
where:
Base-Base interactions energy: -110.756
where: short stacking energy: -90.739
Base-Backbone interact. energy: -0.461
local terms energy: -213.325557
where:
bonds (distance) C4'-P energy: -64.396
bonds (distance) P-C4' energy: -57.746
flat angles C4'-P-C4' energy: -55.104
flat angles P-C4'-P energy: -47.500
tors. eta vs tors. theta energy: 11.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1377.797810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.797810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.797810 (E_RNA)
where:
Base-Base interactions energy: -960.721
where: short stacking energy: -381.889
Base-Backbone interact. energy: -0.108
local terms energy: -416.968890
where:
bonds (distance) C4'-P energy: -71.072
bonds (distance) P-C4' energy: -81.698
flat angles C4'-P-C4' energy: -89.759
flat angles P-C4'-P energy: -59.932
tors. eta vs tors. theta energy: -114.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1335.257869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.257869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.257869 (E_RNA)
where:
Base-Base interactions energy: -915.106
where: short stacking energy: -367.598
Base-Backbone interact. energy: -1.817
local terms energy: -418.335162
where:
bonds (distance) C4'-P energy: -77.402
bonds (distance) P-C4' energy: -76.658
flat angles C4'-P-C4' energy: -86.461
flat angles P-C4'-P energy: -54.556
tors. eta vs tors. theta energy: -123.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1343.747190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.747190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.747190 (E_RNA)
where:
Base-Base interactions energy: -916.654
where: short stacking energy: -395.276
Base-Backbone interact. energy: -1.230
local terms energy: -425.863353
where:
bonds (distance) C4'-P energy: -74.630
bonds (distance) P-C4' energy: -83.021
flat angles C4'-P-C4' energy: -85.223
flat angles P-C4'-P energy: -56.220
tors. eta vs tors. theta energy: -126.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1183.229392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.229392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.229392 (E_RNA)
where:
Base-Base interactions energy: -800.886
where: short stacking energy: -353.699
Base-Backbone interact. energy: -0.314
local terms energy: -382.029133
where:
bonds (distance) C4'-P energy: -79.519
bonds (distance) P-C4' energy: -74.194
flat angles C4'-P-C4' energy: -80.180
flat angles P-C4'-P energy: -50.588
tors. eta vs tors. theta energy: -97.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1052.240294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.240294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.240294 (E_RNA)
where:
Base-Base interactions energy: -700.046
where: short stacking energy: -309.218
Base-Backbone interact. energy: -0.809
local terms energy: -351.385910
where:
bonds (distance) C4'-P energy: -68.766
bonds (distance) P-C4' energy: -68.767
flat angles C4'-P-C4' energy: -79.098
flat angles P-C4'-P energy: -55.781
tors. eta vs tors. theta energy: -78.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -927.437051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.437051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.437051 (E_RNA)
where:
Base-Base interactions energy: -624.835
where: short stacking energy: -248.032
Base-Backbone interact. energy: 1.927
local terms energy: -304.528614
where:
bonds (distance) C4'-P energy: -61.173
bonds (distance) P-C4' energy: -67.530
flat angles C4'-P-C4' energy: -70.260
flat angles P-C4'-P energy: -47.059
tors. eta vs tors. theta energy: -58.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -771.471464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.471464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.471464 (E_RNA)
where:
Base-Base interactions energy: -497.935
where: short stacking energy: -220.759
Base-Backbone interact. energy: -1.487
local terms energy: -272.049260
where:
bonds (distance) C4'-P energy: -54.844
bonds (distance) P-C4' energy: -61.510
flat angles C4'-P-C4' energy: -74.389
flat angles P-C4'-P energy: -39.801
tors. eta vs tors. theta energy: -41.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -551.142936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.142936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.142936 (E_RNA)
where:
Base-Base interactions energy: -290.148
where: short stacking energy: -165.792
Base-Backbone interact. energy: 1.690
local terms energy: -262.684786
where:
bonds (distance) C4'-P energy: -68.276
bonds (distance) P-C4' energy: -67.507
flat angles C4'-P-C4' energy: -66.461
flat angles P-C4'-P energy: -30.178
tors. eta vs tors. theta energy: -30.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -383.595145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.595145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.595145 (E_RNA)
where:
Base-Base interactions energy: -163.662
where: short stacking energy: -110.002
Base-Backbone interact. energy: 1.189
local terms energy: -221.122189
where:
bonds (distance) C4'-P energy: -62.403
bonds (distance) P-C4' energy: -68.896
flat angles C4'-P-C4' energy: -57.172
flat angles P-C4'-P energy: -32.560
tors. eta vs tors. theta energy: -0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -315.904028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.904028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.904028 (E_RNA)
where:
Base-Base interactions energy: -98.576
where: short stacking energy: -95.340
Base-Backbone interact. energy: -0.086
local terms energy: -217.242119
where:
bonds (distance) C4'-P energy: -66.889
bonds (distance) P-C4' energy: -76.525
flat angles C4'-P-C4' energy: -54.047
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: 5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1369.237478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.237478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.237478 (E_RNA)
where:
Base-Base interactions energy: -938.196
where: short stacking energy: -373.523
Base-Backbone interact. energy: -2.479
local terms energy: -428.561895
where:
bonds (distance) C4'-P energy: -85.661
bonds (distance) P-C4' energy: -86.383
flat angles C4'-P-C4' energy: -88.966
flat angles P-C4'-P energy: -54.194
tors. eta vs tors. theta energy: -113.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1324.961993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.961993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.961993 (E_RNA)
where:
Base-Base interactions energy: -903.609
where: short stacking energy: -363.387
Base-Backbone interact. energy: -1.680
local terms energy: -419.673226
where:
bonds (distance) C4'-P energy: -82.094
bonds (distance) P-C4' energy: -77.737
flat angles C4'-P-C4' energy: -87.908
flat angles P-C4'-P energy: -52.610
tors. eta vs tors. theta energy: -119.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1323.965245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.965245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.965245 (E_RNA)
where:
Base-Base interactions energy: -903.773
where: short stacking energy: -373.534
Base-Backbone interact. energy: -0.325
local terms energy: -419.867055
where:
bonds (distance) C4'-P energy: -69.346
bonds (distance) P-C4' energy: -82.231
flat angles C4'-P-C4' energy: -87.901
flat angles P-C4'-P energy: -55.480
tors. eta vs tors. theta energy: -124.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1195.443477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.443477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.443477 (E_RNA)
where:
Base-Base interactions energy: -808.598
where: short stacking energy: -338.442
Base-Backbone interact. energy: -0.569
local terms energy: -386.275784
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -78.027
flat angles C4'-P-C4' energy: -85.162
flat angles P-C4'-P energy: -57.708
tors. eta vs tors. theta energy: -102.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -995.952280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.952280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.952280 (E_RNA)
where:
Base-Base interactions energy: -645.290
where: short stacking energy: -263.010
Base-Backbone interact. energy: -3.231
local terms energy: -347.430825
where:
bonds (distance) C4'-P energy: -72.176
bonds (distance) P-C4' energy: -72.809
flat angles C4'-P-C4' energy: -75.672
flat angles P-C4'-P energy: -58.607
tors. eta vs tors. theta energy: -68.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -984.417815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.417815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.417815 (E_RNA)
where:
Base-Base interactions energy: -636.441
where: short stacking energy: -286.298
Base-Backbone interact. energy: -0.530
local terms energy: -347.446740
where:
bonds (distance) C4'-P energy: -68.430
bonds (distance) P-C4' energy: -73.500
flat angles C4'-P-C4' energy: -77.425
flat angles P-C4'-P energy: -50.929
tors. eta vs tors. theta energy: -77.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -760.484743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.484743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.484743 (E_RNA)
where:
Base-Base interactions energy: -460.418
where: short stacking energy: -224.580
Base-Backbone interact. energy: 0.335
local terms energy: -300.401128
where:
bonds (distance) C4'-P energy: -63.583
bonds (distance) P-C4' energy: -62.417
flat angles C4'-P-C4' energy: -77.253
flat angles P-C4'-P energy: -36.275
tors. eta vs tors. theta energy: -60.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -549.953967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.953967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.953967 (E_RNA)
where:
Base-Base interactions energy: -287.433
where: short stacking energy: -153.404
Base-Backbone interact. energy: 2.983
local terms energy: -265.503803
where:
bonds (distance) C4'-P energy: -69.753
bonds (distance) P-C4' energy: -72.540
flat angles C4'-P-C4' energy: -61.658
flat angles P-C4'-P energy: -41.759
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -337.631057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.631057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.631057 (E_RNA)
where:
Base-Base interactions energy: -108.566
where: short stacking energy: -93.010
Base-Backbone interact. energy: -2.549
local terms energy: -226.516220
where:
bonds (distance) C4'-P energy: -56.390
bonds (distance) P-C4' energy: -77.216
flat angles C4'-P-C4' energy: -65.338
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: 4.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -298.959204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.959204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.959204 (E_RNA)
where:
Base-Base interactions energy: -99.279
where: short stacking energy: -90.976
Base-Backbone interact. energy: 1.729
local terms energy: -201.409165
where:
bonds (distance) C4'-P energy: -62.709
bonds (distance) P-C4' energy: -67.174
flat angles C4'-P-C4' energy: -58.061
flat angles P-C4'-P energy: -35.803
tors. eta vs tors. theta energy: 22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1379.809548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.809548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.809548 (E_RNA)
where:
Base-Base interactions energy: -953.929
where: short stacking energy: -368.453
Base-Backbone interact. energy: -1.977
local terms energy: -423.903852
where:
bonds (distance) C4'-P energy: -87.519
bonds (distance) P-C4' energy: -86.239
flat angles C4'-P-C4' energy: -82.889
flat angles P-C4'-P energy: -54.702
tors. eta vs tors. theta energy: -112.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1319.290378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.290378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.290378 (E_RNA)
where:
Base-Base interactions energy: -907.664
where: short stacking energy: -392.262
Base-Backbone interact. energy: -1.652
local terms energy: -409.974871
where:
bonds (distance) C4'-P energy: -81.150
bonds (distance) P-C4' energy: -58.338
flat angles C4'-P-C4' energy: -88.500
flat angles P-C4'-P energy: -56.922
tors. eta vs tors. theta energy: -125.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1326.094942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.094942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.094942 (E_RNA)
where:
Base-Base interactions energy: -915.402
where: short stacking energy: -382.664
Base-Backbone interact. energy: 0.401
local terms energy: -411.093969
where:
bonds (distance) C4'-P energy: -76.057
bonds (distance) P-C4' energy: -73.404
flat angles C4'-P-C4' energy: -84.985
flat angles P-C4'-P energy: -54.537
tors. eta vs tors. theta energy: -122.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1199.610113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.610113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.610113 (E_RNA)
where:
Base-Base interactions energy: -813.909
where: short stacking energy: -367.354
Base-Backbone interact. energy: -3.219
local terms energy: -382.482590
where:
bonds (distance) C4'-P energy: -58.791
bonds (distance) P-C4' energy: -76.004
flat angles C4'-P-C4' energy: -87.856
flat angles P-C4'-P energy: -53.317
tors. eta vs tors. theta energy: -106.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1053.847679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.847679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.847679 (E_RNA)
where:
Base-Base interactions energy: -700.763
where: short stacking energy: -319.619
Base-Backbone interact. energy: -1.417
local terms energy: -351.667302
where:
bonds (distance) C4'-P energy: -77.092
bonds (distance) P-C4' energy: -63.648
flat angles C4'-P-C4' energy: -84.259
flat angles P-C4'-P energy: -53.279
tors. eta vs tors. theta energy: -73.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -959.949690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.949690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.949690 (E_RNA)
where:
Base-Base interactions energy: -636.184
where: short stacking energy: -280.834
Base-Backbone interact. energy: -0.724
local terms energy: -323.041555
where:
bonds (distance) C4'-P energy: -67.794
bonds (distance) P-C4' energy: -77.440
flat angles C4'-P-C4' energy: -62.988
flat angles P-C4'-P energy: -53.805
tors. eta vs tors. theta energy: -61.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -740.784077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.784077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.784077 (E_RNA)
where:
Base-Base interactions energy: -461.231
where: short stacking energy: -212.419
Base-Backbone interact. energy: -1.891
local terms energy: -277.662039
where:
bonds (distance) C4'-P energy: -61.892
bonds (distance) P-C4' energy: -72.511
flat angles C4'-P-C4' energy: -58.841
flat angles P-C4'-P energy: -32.373
tors. eta vs tors. theta energy: -52.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -567.837989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.837989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.837989 (E_RNA)
where:
Base-Base interactions energy: -288.908
where: short stacking energy: -163.637
Base-Backbone interact. energy: -1.341
local terms energy: -277.588102
where:
bonds (distance) C4'-P energy: -69.677
bonds (distance) P-C4' energy: -62.381
flat angles C4'-P-C4' energy: -68.454
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -33.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -359.102774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.102774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.102774 (E_RNA)
where:
Base-Base interactions energy: -134.030
where: short stacking energy: -102.766
Base-Backbone interact. energy: -1.554
local terms energy: -223.518293
where:
bonds (distance) C4'-P energy: -69.983
bonds (distance) P-C4' energy: -67.381
flat angles C4'-P-C4' energy: -51.273
flat angles P-C4'-P energy: -40.695
tors. eta vs tors. theta energy: 5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -330.731240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.731240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.731240 (E_RNA)
where:
Base-Base interactions energy: -111.927
where: short stacking energy: -97.539
Base-Backbone interact. energy: -1.147
local terms energy: -217.657126
where:
bonds (distance) C4'-P energy: -66.165
bonds (distance) P-C4' energy: -63.480
flat angles C4'-P-C4' energy: -54.225
flat angles P-C4'-P energy: -34.988
tors. eta vs tors. theta energy: 1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1368.212774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.212774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.212774 (E_RNA)
where:
Base-Base interactions energy: -954.801
where: short stacking energy: -399.148
Base-Backbone interact. energy: -0.135
local terms energy: -413.276788
where:
bonds (distance) C4'-P energy: -77.992
bonds (distance) P-C4' energy: -85.594
flat angles C4'-P-C4' energy: -84.585
flat angles P-C4'-P energy: -53.378
tors. eta vs tors. theta energy: -111.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1361.006750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.006750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.006750 (E_RNA)
where:
Base-Base interactions energy: -921.981
where: short stacking energy: -383.413
Base-Backbone interact. energy: -3.161
local terms energy: -435.864342
where:
bonds (distance) C4'-P energy: -73.830
bonds (distance) P-C4' energy: -81.281
flat angles C4'-P-C4' energy: -92.181
flat angles P-C4'-P energy: -63.923
tors. eta vs tors. theta energy: -124.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1361.020028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.020028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.020028 (E_RNA)
where:
Base-Base interactions energy: -928.489
where: short stacking energy: -386.261
Base-Backbone interact. energy: 2.335
local terms energy: -434.865513
where:
bonds (distance) C4'-P energy: -80.734
bonds (distance) P-C4' energy: -84.125
flat angles C4'-P-C4' energy: -86.048
flat angles P-C4'-P energy: -58.044
tors. eta vs tors. theta energy: -125.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1148.662519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.662519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.662519 (E_RNA)
where:
Base-Base interactions energy: -775.447
where: short stacking energy: -336.354
Base-Backbone interact. energy: -1.775
local terms energy: -371.440118
where:
bonds (distance) C4'-P energy: -66.889
bonds (distance) P-C4' energy: -77.021
flat angles C4'-P-C4' energy: -80.784
flat angles P-C4'-P energy: -50.206
tors. eta vs tors. theta energy: -96.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -977.389972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.389972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.389972 (E_RNA)
where:
Base-Base interactions energy: -636.596
where: short stacking energy: -258.313
Base-Backbone interact. energy: -2.933
local terms energy: -337.860332
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -68.726
flat angles C4'-P-C4' energy: -80.265
flat angles P-C4'-P energy: -52.496
tors. eta vs tors. theta energy: -63.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1004.869521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.869521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.869521 (E_RNA)
where:
Base-Base interactions energy: -669.530
where: short stacking energy: -279.050
Base-Backbone interact. energy: -0.554
local terms energy: -334.785918
where:
bonds (distance) C4'-P energy: -58.091
bonds (distance) P-C4' energy: -70.514
flat angles C4'-P-C4' energy: -83.545
flat angles P-C4'-P energy: -49.204
tors. eta vs tors. theta energy: -73.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -712.999331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.999331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.999331 (E_RNA)
where:
Base-Base interactions energy: -405.233
where: short stacking energy: -200.238
Base-Backbone interact. energy: -0.997
local terms energy: -306.769664
where:
bonds (distance) C4'-P energy: -72.479
bonds (distance) P-C4' energy: -76.098
flat angles C4'-P-C4' energy: -82.280
flat angles P-C4'-P energy: -34.956
tors. eta vs tors. theta energy: -40.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -617.072303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.072303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.072303 (E_RNA)
where:
Base-Base interactions energy: -346.330
where: short stacking energy: -151.377
Base-Backbone interact. energy: 1.382
local terms energy: -272.124273
where:
bonds (distance) C4'-P energy: -65.612
bonds (distance) P-C4' energy: -79.505
flat angles C4'-P-C4' energy: -68.356
flat angles P-C4'-P energy: -35.203
tors. eta vs tors. theta energy: -23.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -363.407401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.407401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.407401 (E_RNA)
where:
Base-Base interactions energy: -149.333
where: short stacking energy: -119.139
Base-Backbone interact. energy: 5.050
local terms energy: -219.125109
where:
bonds (distance) C4'-P energy: -51.278
bonds (distance) P-C4' energy: -64.037
flat angles C4'-P-C4' energy: -70.637
flat angles P-C4'-P energy: -30.192
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -301.702336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.702336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.702336 (E_RNA)
where:
Base-Base interactions energy: -100.799
where: short stacking energy: -71.724
Base-Backbone interact. energy: -2.532
local terms energy: -198.370507
where:
bonds (distance) C4'-P energy: -59.880
bonds (distance) P-C4' energy: -56.891
flat angles C4'-P-C4' energy: -64.983
flat angles P-C4'-P energy: -31.297
tors. eta vs tors. theta energy: 14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1377.663596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.663596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.663596 (E_RNA)
where:
Base-Base interactions energy: -965.235
where: short stacking energy: -387.687
Base-Backbone interact. energy: -0.892
local terms energy: -411.535890
where:
bonds (distance) C4'-P energy: -80.627
bonds (distance) P-C4' energy: -80.413
flat angles C4'-P-C4' energy: -88.596
flat angles P-C4'-P energy: -54.065
tors. eta vs tors. theta energy: -107.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1371.811878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.811878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.811878 (E_RNA)
where:
Base-Base interactions energy: -942.070
where: short stacking energy: -402.641
Base-Backbone interact. energy: -1.817
local terms energy: -427.924233
where:
bonds (distance) C4'-P energy: -81.888
bonds (distance) P-C4' energy: -77.674
flat angles C4'-P-C4' energy: -89.913
flat angles P-C4'-P energy: -54.731
tors. eta vs tors. theta energy: -123.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1308.451633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.451633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.451633 (E_RNA)
where:
Base-Base interactions energy: -887.790
where: short stacking energy: -367.595
Base-Backbone interact. energy: 2.246
local terms energy: -422.907241
where:
bonds (distance) C4'-P energy: -70.267
bonds (distance) P-C4' energy: -87.922
flat angles C4'-P-C4' energy: -88.835
flat angles P-C4'-P energy: -56.245
tors. eta vs tors. theta energy: -119.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1175.059319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.059319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.059319 (E_RNA)
where:
Base-Base interactions energy: -779.276
where: short stacking energy: -340.045
Base-Backbone interact. energy: -0.334
local terms energy: -395.449217
where:
bonds (distance) C4'-P energy: -60.848
bonds (distance) P-C4' energy: -78.017
flat angles C4'-P-C4' energy: -90.302
flat angles P-C4'-P energy: -63.935
tors. eta vs tors. theta energy: -102.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -927.612614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.612614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.612614 (E_RNA)
where:
Base-Base interactions energy: -597.602
where: short stacking energy: -247.957
Base-Backbone interact. energy: -2.127
local terms energy: -327.884041
where:
bonds (distance) C4'-P energy: -74.684
bonds (distance) P-C4' energy: -80.444
flat angles C4'-P-C4' energy: -75.913
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -54.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -992.677546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.677546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.677546 (E_RNA)
where:
Base-Base interactions energy: -654.219
where: short stacking energy: -286.264
Base-Backbone interact. energy: -2.588
local terms energy: -335.870697
where:
bonds (distance) C4'-P energy: -61.115
bonds (distance) P-C4' energy: -76.008
flat angles C4'-P-C4' energy: -71.562
flat angles P-C4'-P energy: -49.574
tors. eta vs tors. theta energy: -77.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -718.497766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.497766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.497766 (E_RNA)
where:
Base-Base interactions energy: -406.941
where: short stacking energy: -195.468
Base-Backbone interact. energy: 1.637
local terms energy: -313.194061
where:
bonds (distance) C4'-P energy: -77.291
bonds (distance) P-C4' energy: -80.391
flat angles C4'-P-C4' energy: -68.430
flat angles P-C4'-P energy: -43.661
tors. eta vs tors. theta energy: -43.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -585.307414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.307414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.307414 (E_RNA)
where:
Base-Base interactions energy: -315.570
where: short stacking energy: -161.005
Base-Backbone interact. energy: -1.631
local terms energy: -268.105832
where:
bonds (distance) C4'-P energy: -78.660
bonds (distance) P-C4' energy: -72.453
flat angles C4'-P-C4' energy: -52.812
flat angles P-C4'-P energy: -40.053
tors. eta vs tors. theta energy: -24.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -374.907862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.907862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.907862 (E_RNA)
where:
Base-Base interactions energy: -134.466
where: short stacking energy: -126.913
Base-Backbone interact. energy: -0.359
local terms energy: -240.082735
where:
bonds (distance) C4'-P energy: -56.443
bonds (distance) P-C4' energy: -65.462
flat angles C4'-P-C4' energy: -69.604
flat angles P-C4'-P energy: -48.780
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -311.074813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.074813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.074813 (E_RNA)
where:
Base-Base interactions energy: -96.696
where: short stacking energy: -85.058
Base-Backbone interact. energy: -0.011
local terms energy: -214.367632
where:
bonds (distance) C4'-P energy: -58.449
bonds (distance) P-C4' energy: -78.458
flat angles C4'-P-C4' energy: -49.547
flat angles P-C4'-P energy: -41.598
tors. eta vs tors. theta energy: 13.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1411.993416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.993416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.993416 (E_RNA)
where:
Base-Base interactions energy: -964.572
where: short stacking energy: -409.137
Base-Backbone interact. energy: -3.137
local terms energy: -444.284853
where:
bonds (distance) C4'-P energy: -79.162
bonds (distance) P-C4' energy: -85.880
flat angles C4'-P-C4' energy: -88.317
flat angles P-C4'-P energy: -63.790
tors. eta vs tors. theta energy: -127.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1341.673852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.673852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.673852 (E_RNA)
where:
Base-Base interactions energy: -942.601
where: short stacking energy: -363.991
Base-Backbone interact. energy: -3.543
local terms energy: -395.530392
where:
bonds (distance) C4'-P energy: -71.435
bonds (distance) P-C4' energy: -78.705
flat angles C4'-P-C4' energy: -84.106
flat angles P-C4'-P energy: -53.660
tors. eta vs tors. theta energy: -107.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1277.965130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.965130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.965130 (E_RNA)
where:
Base-Base interactions energy: -871.039
where: short stacking energy: -369.778
Base-Backbone interact. energy: -0.246
local terms energy: -406.680538
where:
bonds (distance) C4'-P energy: -75.447
bonds (distance) P-C4' energy: -72.837
flat angles C4'-P-C4' energy: -85.540
flat angles P-C4'-P energy: -55.485
tors. eta vs tors. theta energy: -117.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1224.652075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.652075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.652075 (E_RNA)
where:
Base-Base interactions energy: -809.864
where: short stacking energy: -360.034
Base-Backbone interact. energy: -2.176
local terms energy: -412.612001
where:
bonds (distance) C4'-P energy: -75.183
bonds (distance) P-C4' energy: -81.526
flat angles C4'-P-C4' energy: -80.585
flat angles P-C4'-P energy: -64.922
tors. eta vs tors. theta energy: -110.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1032.355593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.355593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.355593 (E_RNA)
where:
Base-Base interactions energy: -702.603
where: short stacking energy: -279.231
Base-Backbone interact. energy: -3.340
local terms energy: -326.412687
where:
bonds (distance) C4'-P energy: -66.408
bonds (distance) P-C4' energy: -67.480
flat angles C4'-P-C4' energy: -77.937
flat angles P-C4'-P energy: -46.785
tors. eta vs tors. theta energy: -67.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -922.670092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.670092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.670092 (E_RNA)
where:
Base-Base interactions energy: -609.195
where: short stacking energy: -261.303
Base-Backbone interact. energy: 0.912
local terms energy: -314.387307
where:
bonds (distance) C4'-P energy: -69.131
bonds (distance) P-C4' energy: -65.462
flat angles C4'-P-C4' energy: -76.223
flat angles P-C4'-P energy: -46.357
tors. eta vs tors. theta energy: -57.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -674.056328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.056328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.056328 (E_RNA)
where:
Base-Base interactions energy: -384.538
where: short stacking energy: -174.970
Base-Backbone interact. energy: -0.842
local terms energy: -288.675709
where:
bonds (distance) C4'-P energy: -75.932
bonds (distance) P-C4' energy: -84.303
flat angles C4'-P-C4' energy: -63.358
flat angles P-C4'-P energy: -31.098
tors. eta vs tors. theta energy: -33.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -585.675835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.675835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.675835 (E_RNA)
where:
Base-Base interactions energy: -331.013
where: short stacking energy: -182.603
Base-Backbone interact. energy: -1.764
local terms energy: -252.898697
where:
bonds (distance) C4'-P energy: -62.135
bonds (distance) P-C4' energy: -61.430
flat angles C4'-P-C4' energy: -63.137
flat angles P-C4'-P energy: -37.694
tors. eta vs tors. theta energy: -28.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -400.837441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.837441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.837441 (E_RNA)
where:
Base-Base interactions energy: -169.381
where: short stacking energy: -130.752
Base-Backbone interact. energy: -1.925
local terms energy: -229.531469
where:
bonds (distance) C4'-P energy: -70.201
bonds (distance) P-C4' energy: -81.617
flat angles C4'-P-C4' energy: -54.893
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -321.119939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.119939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.119939 (E_RNA)
where:
Base-Base interactions energy: -111.522
where: short stacking energy: -95.274
Base-Backbone interact. energy: 0.015
local terms energy: -209.613491
where:
bonds (distance) C4'-P energy: -60.771
bonds (distance) P-C4' energy: -67.251
flat angles C4'-P-C4' energy: -61.756
flat angles P-C4'-P energy: -30.685
tors. eta vs tors. theta energy: 10.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1383.902308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.902308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.902308 (E_RNA)
where:
Base-Base interactions energy: -944.310
where: short stacking energy: -396.170
Base-Backbone interact. energy: -1.632
local terms energy: -437.960004
where:
bonds (distance) C4'-P energy: -79.670
bonds (distance) P-C4' energy: -76.318
flat angles C4'-P-C4' energy: -89.499
flat angles P-C4'-P energy: -63.534
tors. eta vs tors. theta energy: -128.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1378.543925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.543925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.543925 (E_RNA)
where:
Base-Base interactions energy: -967.517
where: short stacking energy: -372.646
Base-Backbone interact. energy: -1.588
local terms energy: -409.438479
where:
bonds (distance) C4'-P energy: -77.706
bonds (distance) P-C4' energy: -68.749
flat angles C4'-P-C4' energy: -94.755
flat angles P-C4'-P energy: -55.407
tors. eta vs tors. theta energy: -112.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1276.186962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.186962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.186962 (E_RNA)
where:
Base-Base interactions energy: -875.855
where: short stacking energy: -366.260
Base-Backbone interact. energy: -2.161
local terms energy: -398.170756
where:
bonds (distance) C4'-P energy: -72.857
bonds (distance) P-C4' energy: -74.839
flat angles C4'-P-C4' energy: -83.891
flat angles P-C4'-P energy: -54.487
tors. eta vs tors. theta energy: -112.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1178.237811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.237811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.237811 (E_RNA)
where:
Base-Base interactions energy: -792.491
where: short stacking energy: -333.501
Base-Backbone interact. energy: -2.789
local terms energy: -382.958718
where:
bonds (distance) C4'-P energy: -68.960
bonds (distance) P-C4' energy: -66.246
flat angles C4'-P-C4' energy: -82.595
flat angles P-C4'-P energy: -67.187
tors. eta vs tors. theta energy: -97.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1023.226865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.226865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.226865 (E_RNA)
where:
Base-Base interactions energy: -681.450
where: short stacking energy: -291.440
Base-Backbone interact. energy: -1.075
local terms energy: -340.702453
where:
bonds (distance) C4'-P energy: -68.658
bonds (distance) P-C4' energy: -61.319
flat angles C4'-P-C4' energy: -81.964
flat angles P-C4'-P energy: -56.629
tors. eta vs tors. theta energy: -72.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -949.540389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.540389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.540389 (E_RNA)
where:
Base-Base interactions energy: -616.247
where: short stacking energy: -266.906
Base-Backbone interact. energy: -0.302
local terms energy: -332.991478
where:
bonds (distance) C4'-P energy: -73.605
bonds (distance) P-C4' energy: -64.816
flat angles C4'-P-C4' energy: -73.738
flat angles P-C4'-P energy: -49.318
tors. eta vs tors. theta energy: -71.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -756.304767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.304767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.304767 (E_RNA)
where:
Base-Base interactions energy: -464.410
where: short stacking energy: -204.571
Base-Backbone interact. energy: -1.746
local terms energy: -290.147919
where:
bonds (distance) C4'-P energy: -81.563
bonds (distance) P-C4' energy: -56.092
flat angles C4'-P-C4' energy: -70.233
flat angles P-C4'-P energy: -49.273
tors. eta vs tors. theta energy: -32.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -615.192221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.192221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.192221 (E_RNA)
where:
Base-Base interactions energy: -342.664
where: short stacking energy: -183.338
Base-Backbone interact. energy: -1.831
local terms energy: -270.696878
where:
bonds (distance) C4'-P energy: -68.019
bonds (distance) P-C4' energy: -62.786
flat angles C4'-P-C4' energy: -70.129
flat angles P-C4'-P energy: -42.581
tors. eta vs tors. theta energy: -27.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -434.679835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.679835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.679835 (E_RNA)
where:
Base-Base interactions energy: -181.486
where: short stacking energy: -133.649
Base-Backbone interact. energy: 0.459
local terms energy: -253.652876
where:
bonds (distance) C4'-P energy: -70.774
bonds (distance) P-C4' energy: -64.287
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -47.628
tors. eta vs tors. theta energy: -14.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -317.745759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.745759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.745759 (E_RNA)
where:
Base-Base interactions energy: -96.173
where: short stacking energy: -83.623
Base-Backbone interact. energy: 1.294
local terms energy: -222.866704
where:
bonds (distance) C4'-P energy: -63.233
bonds (distance) P-C4' energy: -68.016
flat angles C4'-P-C4' energy: -51.905
flat angles P-C4'-P energy: -43.787
tors. eta vs tors. theta energy: 4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1411.828718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.828718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.828718 (E_RNA)
where:
Base-Base interactions energy: -952.446
where: short stacking energy: -402.224
Base-Backbone interact. energy: -0.996
local terms energy: -458.386789
where:
bonds (distance) C4'-P energy: -86.672
bonds (distance) P-C4' energy: -89.688
flat angles C4'-P-C4' energy: -89.032
flat angles P-C4'-P energy: -67.453
tors. eta vs tors. theta energy: -125.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1383.177036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.177036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.177036 (E_RNA)
where:
Base-Base interactions energy: -975.029
where: short stacking energy: -366.187
Base-Backbone interact. energy: -0.687
local terms energy: -407.460702
where:
bonds (distance) C4'-P energy: -73.325
bonds (distance) P-C4' energy: -73.388
flat angles C4'-P-C4' energy: -90.704
flat angles P-C4'-P energy: -58.434
tors. eta vs tors. theta energy: -111.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1280.507945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.507945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.507945 (E_RNA)
where:
Base-Base interactions energy: -901.740
where: short stacking energy: -367.046
Base-Backbone interact. energy: 1.101
local terms energy: -379.868938
where:
bonds (distance) C4'-P energy: -61.777
bonds (distance) P-C4' energy: -76.698
flat angles C4'-P-C4' energy: -87.333
flat angles P-C4'-P energy: -46.224
tors. eta vs tors. theta energy: -107.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1177.177849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.177849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.177849 (E_RNA)
where:
Base-Base interactions energy: -798.572
where: short stacking energy: -340.295
Base-Backbone interact. energy: -1.672
local terms energy: -376.933239
where:
bonds (distance) C4'-P energy: -72.283
bonds (distance) P-C4' energy: -70.173
flat angles C4'-P-C4' energy: -77.040
flat angles P-C4'-P energy: -61.028
tors. eta vs tors. theta energy: -96.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1020.313541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.313541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.313541 (E_RNA)
where:
Base-Base interactions energy: -671.430
where: short stacking energy: -284.450
Base-Backbone interact. energy: -3.916
local terms energy: -344.967643
where:
bonds (distance) C4'-P energy: -70.005
bonds (distance) P-C4' energy: -74.404
flat angles C4'-P-C4' energy: -77.244
flat angles P-C4'-P energy: -58.323
tors. eta vs tors. theta energy: -64.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -876.592374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.592374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.592374 (E_RNA)
where:
Base-Base interactions energy: -547.806
where: short stacking energy: -251.185
Base-Backbone interact. energy: -2.200
local terms energy: -326.585950
where:
bonds (distance) C4'-P energy: -66.816
bonds (distance) P-C4' energy: -81.706
flat angles C4'-P-C4' energy: -75.661
flat angles P-C4'-P energy: -46.035
tors. eta vs tors. theta energy: -56.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -693.480025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.480025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.480025 (E_RNA)
where:
Base-Base interactions energy: -405.031
where: short stacking energy: -192.899
Base-Backbone interact. energy: -0.088
local terms energy: -288.361001
where:
bonds (distance) C4'-P energy: -64.982
bonds (distance) P-C4' energy: -65.625
flat angles C4'-P-C4' energy: -77.670
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -37.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -592.675022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.675022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.675022 (E_RNA)
where:
Base-Base interactions energy: -340.780
where: short stacking energy: -165.420
Base-Backbone interact. energy: 0.449
local terms energy: -252.343493
where:
bonds (distance) C4'-P energy: -65.940
bonds (distance) P-C4' energy: -67.759
flat angles C4'-P-C4' energy: -67.291
flat angles P-C4'-P energy: -30.582
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -325.066632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.066632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.066632 (E_RNA)
where:
Base-Base interactions energy: -138.690
where: short stacking energy: -92.403
Base-Backbone interact. energy: -0.896
local terms energy: -185.481120
where:
bonds (distance) C4'-P energy: -72.680
bonds (distance) P-C4' energy: -56.640
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -29.406
tors. eta vs tors. theta energy: 6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -377.314077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.314077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.314077 (E_RNA)
where:
Base-Base interactions energy: -150.347
where: short stacking energy: -107.491
Base-Backbone interact. energy: -1.901
local terms energy: -225.066265
where:
bonds (distance) C4'-P energy: -74.430
bonds (distance) P-C4' energy: -70.642
flat angles C4'-P-C4' energy: -54.817
flat angles P-C4'-P energy: -30.180
tors. eta vs tors. theta energy: 5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1407.169354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.169354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.169354 (E_RNA)
where:
Base-Base interactions energy: -944.604
where: short stacking energy: -405.702
Base-Backbone interact. energy: -0.765
local terms energy: -461.801165
where:
bonds (distance) C4'-P energy: -78.379
bonds (distance) P-C4' energy: -88.550
flat angles C4'-P-C4' energy: -94.930
flat angles P-C4'-P energy: -72.389
tors. eta vs tors. theta energy: -127.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1338.978714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.978714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.978714 (E_RNA)
where:
Base-Base interactions energy: -930.180
where: short stacking energy: -353.780
Base-Backbone interact. energy: 1.302
local terms energy: -410.100634
where:
bonds (distance) C4'-P energy: -79.793
bonds (distance) P-C4' energy: -74.996
flat angles C4'-P-C4' energy: -81.506
flat angles P-C4'-P energy: -67.948
tors. eta vs tors. theta energy: -105.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1301.829918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.829918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.829918 (E_RNA)
where:
Base-Base interactions energy: -868.287
where: short stacking energy: -375.484
Base-Backbone interact. energy: -0.670
local terms energy: -432.873166
where:
bonds (distance) C4'-P energy: -83.411
bonds (distance) P-C4' energy: -79.049
flat angles C4'-P-C4' energy: -97.056
flat angles P-C4'-P energy: -54.563
tors. eta vs tors. theta energy: -118.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1189.130654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.130654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.130654 (E_RNA)
where:
Base-Base interactions energy: -799.570
where: short stacking energy: -354.175
Base-Backbone interact. energy: -0.997
local terms energy: -388.564014
where:
bonds (distance) C4'-P energy: -67.602
bonds (distance) P-C4' energy: -71.709
flat angles C4'-P-C4' energy: -90.435
flat angles P-C4'-P energy: -55.466
tors. eta vs tors. theta energy: -103.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1042.068791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.068791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.068791 (E_RNA)
where:
Base-Base interactions energy: -707.026
where: short stacking energy: -313.474
Base-Backbone interact. energy: -0.970
local terms energy: -334.073482
where:
bonds (distance) C4'-P energy: -62.254
bonds (distance) P-C4' energy: -65.729
flat angles C4'-P-C4' energy: -66.606
flat angles P-C4'-P energy: -58.184
tors. eta vs tors. theta energy: -81.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -926.705278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.705278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.705278 (E_RNA)
where:
Base-Base interactions energy: -605.774
where: short stacking energy: -264.745
Base-Backbone interact. energy: 0.383
local terms energy: -321.314070
where:
bonds (distance) C4'-P energy: -63.564
bonds (distance) P-C4' energy: -61.553
flat angles C4'-P-C4' energy: -81.281
flat angles P-C4'-P energy: -40.459
tors. eta vs tors. theta energy: -74.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -763.717877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.717877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.717877 (E_RNA)
where:
Base-Base interactions energy: -485.052
where: short stacking energy: -232.998
Base-Backbone interact. energy: 4.519
local terms energy: -283.184102
where:
bonds (distance) C4'-P energy: -67.615
bonds (distance) P-C4' energy: -64.375
flat angles C4'-P-C4' energy: -77.423
flat angles P-C4'-P energy: -33.808
tors. eta vs tors. theta energy: -39.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -573.202759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.202759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.202759 (E_RNA)
where:
Base-Base interactions energy: -324.026
where: short stacking energy: -166.289
Base-Backbone interact. energy: -1.928
local terms energy: -247.248935
where:
bonds (distance) C4'-P energy: -58.755
bonds (distance) P-C4' energy: -68.060
flat angles C4'-P-C4' energy: -53.133
flat angles P-C4'-P energy: -36.394
tors. eta vs tors. theta energy: -30.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -349.731860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.731860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.731860 (E_RNA)
where:
Base-Base interactions energy: -116.983
where: short stacking energy: -72.192
Base-Backbone interact. energy: 0.599
local terms energy: -233.347819
where:
bonds (distance) C4'-P energy: -85.746
bonds (distance) P-C4' energy: -81.685
flat angles C4'-P-C4' energy: -60.782
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: 18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -324.433434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.433434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.433434 (E_RNA)
where:
Base-Base interactions energy: -108.451
where: short stacking energy: -86.491
Base-Backbone interact. energy: -1.883
local terms energy: -214.099314
where:
bonds (distance) C4'-P energy: -58.098
bonds (distance) P-C4' energy: -70.245
flat angles C4'-P-C4' energy: -64.480
flat angles P-C4'-P energy: -41.732
tors. eta vs tors. theta energy: 20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1424.837571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.837571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.837571 (E_RNA)
where:
Base-Base interactions energy: -1006.338
where: short stacking energy: -411.398
Base-Backbone interact. energy: -1.315
local terms energy: -417.185027
where:
bonds (distance) C4'-P energy: -69.751
bonds (distance) P-C4' energy: -81.332
flat angles C4'-P-C4' energy: -90.653
flat angles P-C4'-P energy: -49.987
tors. eta vs tors. theta energy: -125.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1368.118090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.118090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.118090 (E_RNA)
where:
Base-Base interactions energy: -957.589
where: short stacking energy: -374.772
Base-Backbone interact. energy: 6.088
local terms energy: -416.617640
where:
bonds (distance) C4'-P energy: -69.398
bonds (distance) P-C4' energy: -76.488
flat angles C4'-P-C4' energy: -90.108
flat angles P-C4'-P energy: -63.108
tors. eta vs tors. theta energy: -117.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1271.039400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.039400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.039400 (E_RNA)
where:
Base-Base interactions energy: -883.954
where: short stacking energy: -360.367
Base-Backbone interact. energy: -0.505
local terms energy: -386.580876
where:
bonds (distance) C4'-P energy: -64.590
bonds (distance) P-C4' energy: -62.958
flat angles C4'-P-C4' energy: -83.970
flat angles P-C4'-P energy: -57.701
tors. eta vs tors. theta energy: -117.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1189.439416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.439416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.439416 (E_RNA)
where:
Base-Base interactions energy: -801.609
where: short stacking energy: -350.565
Base-Backbone interact. energy: -1.642
local terms energy: -386.188773
where:
bonds (distance) C4'-P energy: -67.991
bonds (distance) P-C4' energy: -84.994
flat angles C4'-P-C4' energy: -83.702
flat angles P-C4'-P energy: -52.502
tors. eta vs tors. theta energy: -96.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1058.730524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.730524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.730524 (E_RNA)
where:
Base-Base interactions energy: -702.042
where: short stacking energy: -323.733
Base-Backbone interact. energy: -2.046
local terms energy: -354.642572
where:
bonds (distance) C4'-P energy: -62.073
bonds (distance) P-C4' energy: -66.594
flat angles C4'-P-C4' energy: -75.916
flat angles P-C4'-P energy: -56.331
tors. eta vs tors. theta energy: -93.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -876.194642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.194642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.194642 (E_RNA)
where:
Base-Base interactions energy: -554.947
where: short stacking energy: -246.712
Base-Backbone interact. energy: -0.297
local terms energy: -320.951182
where:
bonds (distance) C4'-P energy: -69.703
bonds (distance) P-C4' energy: -80.391
flat angles C4'-P-C4' energy: -72.715
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -55.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -779.309125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.309125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.309125 (E_RNA)
where:
Base-Base interactions energy: -487.455
where: short stacking energy: -221.591
Base-Backbone interact. energy: -0.418
local terms energy: -291.435982
where:
bonds (distance) C4'-P energy: -54.343
bonds (distance) P-C4' energy: -79.195
flat angles C4'-P-C4' energy: -61.317
flat angles P-C4'-P energy: -51.666
tors. eta vs tors. theta energy: -44.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -600.961842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.961842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.961842 (E_RNA)
where:
Base-Base interactions energy: -338.932
where: short stacking energy: -170.969
Base-Backbone interact. energy: 0.471
local terms energy: -262.501418
where:
bonds (distance) C4'-P energy: -67.132
bonds (distance) P-C4' energy: -54.624
flat angles C4'-P-C4' energy: -73.617
flat angles P-C4'-P energy: -42.357
tors. eta vs tors. theta energy: -24.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -363.778437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.778437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.778437 (E_RNA)
where:
Base-Base interactions energy: -142.449
where: short stacking energy: -107.194
Base-Backbone interact. energy: -2.799
local terms energy: -218.530027
where:
bonds (distance) C4'-P energy: -73.722
bonds (distance) P-C4' energy: -54.127
flat angles C4'-P-C4' energy: -69.547
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: 3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -318.894310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.894310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.894310 (E_RNA)
where:
Base-Base interactions energy: -120.125
where: short stacking energy: -80.755
Base-Backbone interact. energy: 1.407
local terms energy: -200.176022
where:
bonds (distance) C4'-P energy: -63.948
bonds (distance) P-C4' energy: -58.926
flat angles C4'-P-C4' energy: -58.150
flat angles P-C4'-P energy: -39.900
tors. eta vs tors. theta energy: 20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1440.495826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.495826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.495826 (E_RNA)
where:
Base-Base interactions energy: -992.211
where: short stacking energy: -421.363
Base-Backbone interact. energy: -2.309
local terms energy: -445.976506
where:
bonds (distance) C4'-P energy: -76.771
bonds (distance) P-C4' energy: -79.480
flat angles C4'-P-C4' energy: -93.964
flat angles P-C4'-P energy: -61.759
tors. eta vs tors. theta energy: -134.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1362.870444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.870444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.870444 (E_RNA)
where:
Base-Base interactions energy: -947.133
where: short stacking energy: -383.378
Base-Backbone interact. energy: -0.928
local terms energy: -414.809710
where:
bonds (distance) C4'-P energy: -77.737
bonds (distance) P-C4' energy: -68.565
flat angles C4'-P-C4' energy: -96.805
flat angles P-C4'-P energy: -59.174
tors. eta vs tors. theta energy: -112.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1293.586485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.586485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.586485 (E_RNA)
where:
Base-Base interactions energy: -892.756
where: short stacking energy: -381.668
Base-Backbone interact. energy: -0.742
local terms energy: -400.088736
where:
bonds (distance) C4'-P energy: -77.231
bonds (distance) P-C4' energy: -72.020
flat angles C4'-P-C4' energy: -82.746
flat angles P-C4'-P energy: -47.855
tors. eta vs tors. theta energy: -120.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1156.724828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.724828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.724828 (E_RNA)
where:
Base-Base interactions energy: -781.375
where: short stacking energy: -317.162
Base-Backbone interact. energy: -0.452
local terms energy: -374.897183
where:
bonds (distance) C4'-P energy: -70.721
bonds (distance) P-C4' energy: -86.033
flat angles C4'-P-C4' energy: -76.862
flat angles P-C4'-P energy: -50.792
tors. eta vs tors. theta energy: -90.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1052.823032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.823032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.823032 (E_RNA)
where:
Base-Base interactions energy: -686.013
where: short stacking energy: -292.825
Base-Backbone interact. energy: -0.731
local terms energy: -366.078553
where:
bonds (distance) C4'-P energy: -69.794
bonds (distance) P-C4' energy: -75.681
flat angles C4'-P-C4' energy: -86.299
flat angles P-C4'-P energy: -55.467
tors. eta vs tors. theta energy: -78.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -799.906061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.906061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.906061 (E_RNA)
where:
Base-Base interactions energy: -494.346
where: short stacking energy: -226.262
Base-Backbone interact. energy: -2.245
local terms energy: -303.315597
where:
bonds (distance) C4'-P energy: -69.581
bonds (distance) P-C4' energy: -80.154
flat angles C4'-P-C4' energy: -68.972
flat angles P-C4'-P energy: -38.719
tors. eta vs tors. theta energy: -45.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -708.907486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.907486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.907486 (E_RNA)
where:
Base-Base interactions energy: -449.969
where: short stacking energy: -193.798
Base-Backbone interact. energy: 6.758
local terms energy: -265.696298
where:
bonds (distance) C4'-P energy: -56.159
bonds (distance) P-C4' energy: -71.407
flat angles C4'-P-C4' energy: -59.408
flat angles P-C4'-P energy: -48.042
tors. eta vs tors. theta energy: -30.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -604.127928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.127928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.127928 (E_RNA)
where:
Base-Base interactions energy: -318.730
where: short stacking energy: -151.520
Base-Backbone interact. energy: -1.956
local terms energy: -283.441327
where:
bonds (distance) C4'-P energy: -63.950
bonds (distance) P-C4' energy: -71.933
flat angles C4'-P-C4' energy: -74.802
flat angles P-C4'-P energy: -43.577
tors. eta vs tors. theta energy: -29.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -341.251738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.251738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.251738 (E_RNA)
where:
Base-Base interactions energy: -105.901
where: short stacking energy: -72.879
Base-Backbone interact. energy: -0.296
local terms energy: -235.054494
where:
bonds (distance) C4'-P energy: -64.410
bonds (distance) P-C4' energy: -84.850
flat angles C4'-P-C4' energy: -57.085
flat angles P-C4'-P energy: -40.863
tors. eta vs tors. theta energy: 12.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -323.319374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.319374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.319374 (E_RNA)
where:
Base-Base interactions energy: -119.418
where: short stacking energy: -87.940
Base-Backbone interact. energy: 0.629
local terms energy: -204.530742
where:
bonds (distance) C4'-P energy: -67.241
bonds (distance) P-C4' energy: -65.238
flat angles C4'-P-C4' energy: -53.567
flat angles P-C4'-P energy: -34.720
tors. eta vs tors. theta energy: 16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1442.021595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.021595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.021595 (E_RNA)
where:
Base-Base interactions energy: -987.757
where: short stacking energy: -414.311
Base-Backbone interact. energy: -1.994
local terms energy: -452.271082
where:
bonds (distance) C4'-P energy: -83.824
bonds (distance) P-C4' energy: -75.781
flat angles C4'-P-C4' energy: -93.688
flat angles P-C4'-P energy: -65.791
tors. eta vs tors. theta energy: -133.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1370.952659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.952659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.952659 (E_RNA)
where:
Base-Base interactions energy: -939.288
where: short stacking energy: -384.781
Base-Backbone interact. energy: -0.605
local terms energy: -431.060060
where:
bonds (distance) C4'-P energy: -73.302
bonds (distance) P-C4' energy: -86.990
flat angles C4'-P-C4' energy: -89.633
flat angles P-C4'-P energy: -67.211
tors. eta vs tors. theta energy: -113.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1291.904540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.904540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.904540 (E_RNA)
where:
Base-Base interactions energy: -879.447
where: short stacking energy: -375.315
Base-Backbone interact. energy: -0.285
local terms energy: -412.171720
where:
bonds (distance) C4'-P energy: -86.711
bonds (distance) P-C4' energy: -62.686
flat angles C4'-P-C4' energy: -94.074
flat angles P-C4'-P energy: -52.219
tors. eta vs tors. theta energy: -116.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1152.145262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.145262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.145262 (E_RNA)
where:
Base-Base interactions energy: -760.236
where: short stacking energy: -325.099
Base-Backbone interact. energy: 0.250
local terms energy: -392.159039
where:
bonds (distance) C4'-P energy: -73.427
bonds (distance) P-C4' energy: -83.799
flat angles C4'-P-C4' energy: -83.313
flat angles P-C4'-P energy: -62.719
tors. eta vs tors. theta energy: -88.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1025.601564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.601564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.601564 (E_RNA)
where:
Base-Base interactions energy: -677.552
where: short stacking energy: -298.494
Base-Backbone interact. energy: -1.898
local terms energy: -346.151059
where:
bonds (distance) C4'-P energy: -72.376
bonds (distance) P-C4' energy: -71.005
flat angles C4'-P-C4' energy: -78.696
flat angles P-C4'-P energy: -41.838
tors. eta vs tors. theta energy: -82.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -783.985635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.985635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.985635 (E_RNA)
where:
Base-Base interactions energy: -474.751
where: short stacking energy: -215.238
Base-Backbone interact. energy: 2.176
local terms energy: -311.410391
where:
bonds (distance) C4'-P energy: -77.463
bonds (distance) P-C4' energy: -84.116
flat angles C4'-P-C4' energy: -66.802
flat angles P-C4'-P energy: -46.020
tors. eta vs tors. theta energy: -37.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -737.872499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.872499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.872499 (E_RNA)
where:
Base-Base interactions energy: -458.944
where: short stacking energy: -201.089
Base-Backbone interact. energy: 2.190
local terms energy: -281.118596
where:
bonds (distance) C4'-P energy: -67.466
bonds (distance) P-C4' energy: -74.141
flat angles C4'-P-C4' energy: -69.794
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -29.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -600.558088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.558088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.558088 (E_RNA)
where:
Base-Base interactions energy: -339.618
where: short stacking energy: -164.316
Base-Backbone interact. energy: -2.109
local terms energy: -258.831313
where:
bonds (distance) C4'-P energy: -59.532
bonds (distance) P-C4' energy: -73.073
flat angles C4'-P-C4' energy: -79.405
flat angles P-C4'-P energy: -27.485
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -337.505927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.505927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.505927 (E_RNA)
where:
Base-Base interactions energy: -128.639
where: short stacking energy: -100.742
Base-Backbone interact. energy: 2.541
local terms energy: -211.407972
where:
bonds (distance) C4'-P energy: -72.547
bonds (distance) P-C4' energy: -80.200
flat angles C4'-P-C4' energy: -38.529
flat angles P-C4'-P energy: -33.675
tors. eta vs tors. theta energy: 13.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -327.339507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.339507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.339507 (E_RNA)
where:
Base-Base interactions energy: -130.123
where: short stacking energy: -95.961
Base-Backbone interact. energy: 3.210
local terms energy: -200.426771
where:
bonds (distance) C4'-P energy: -54.809
bonds (distance) P-C4' energy: -73.410
flat angles C4'-P-C4' energy: -59.329
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: 3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1424.427563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.427563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.427563 (E_RNA)
where:
Base-Base interactions energy: -969.394
where: short stacking energy: -396.719
Base-Backbone interact. energy: -1.350
local terms energy: -453.683301
where:
bonds (distance) C4'-P energy: -85.559
bonds (distance) P-C4' energy: -86.055
flat angles C4'-P-C4' energy: -86.946
flat angles P-C4'-P energy: -62.815
tors. eta vs tors. theta energy: -132.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1359.138524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.138524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.138524 (E_RNA)
where:
Base-Base interactions energy: -942.642
where: short stacking energy: -360.357
Base-Backbone interact. energy: -1.464
local terms energy: -415.032810
where:
bonds (distance) C4'-P energy: -77.724
bonds (distance) P-C4' energy: -79.828
flat angles C4'-P-C4' energy: -90.367
flat angles P-C4'-P energy: -57.944
tors. eta vs tors. theta energy: -109.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1319.249409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.249409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.249409 (E_RNA)
where:
Base-Base interactions energy: -889.558
where: short stacking energy: -376.182
Base-Backbone interact. energy: -1.468
local terms energy: -428.223929
where:
bonds (distance) C4'-P energy: -78.604
bonds (distance) P-C4' energy: -82.438
flat angles C4'-P-C4' energy: -87.733
flat angles P-C4'-P energy: -59.266
tors. eta vs tors. theta energy: -120.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1179.060702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.060702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.060702 (E_RNA)
where:
Base-Base interactions energy: -798.758
where: short stacking energy: -341.324
Base-Backbone interact. energy: -1.840
local terms energy: -378.462932
where:
bonds (distance) C4'-P energy: -69.499
bonds (distance) P-C4' energy: -73.893
flat angles C4'-P-C4' energy: -82.121
flat angles P-C4'-P energy: -58.900
tors. eta vs tors. theta energy: -94.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1015.942789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.942789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.942789 (E_RNA)
where:
Base-Base interactions energy: -678.430
where: short stacking energy: -290.745
Base-Backbone interact. energy: -0.811
local terms energy: -336.701952
where:
bonds (distance) C4'-P energy: -59.367
bonds (distance) P-C4' energy: -60.961
flat angles C4'-P-C4' energy: -72.733
flat angles P-C4'-P energy: -62.704
tors. eta vs tors. theta energy: -80.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -866.827119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.827119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.827119 (E_RNA)
where:
Base-Base interactions energy: -556.328
where: short stacking energy: -249.314
Base-Backbone interact. energy: 0.050
local terms energy: -310.549222
where:
bonds (distance) C4'-P energy: -61.583
bonds (distance) P-C4' energy: -72.618
flat angles C4'-P-C4' energy: -68.754
flat angles P-C4'-P energy: -51.250
tors. eta vs tors. theta energy: -56.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -772.826530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.826530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.826530 (E_RNA)
where:
Base-Base interactions energy: -483.175
where: short stacking energy: -239.294
Base-Backbone interact. energy: -1.185
local terms energy: -288.466815
where:
bonds (distance) C4'-P energy: -68.910
bonds (distance) P-C4' energy: -70.263
flat angles C4'-P-C4' energy: -63.234
flat angles P-C4'-P energy: -40.768
tors. eta vs tors. theta energy: -45.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -596.087733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.087733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.087733 (E_RNA)
where:
Base-Base interactions energy: -326.594
where: short stacking energy: -165.417
Base-Backbone interact. energy: 5.878
local terms energy: -275.371823
where:
bonds (distance) C4'-P energy: -61.890
bonds (distance) P-C4' energy: -65.558
flat angles C4'-P-C4' energy: -65.900
flat angles P-C4'-P energy: -56.204
tors. eta vs tors. theta energy: -25.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -343.530646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.530646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.530646 (E_RNA)
where:
Base-Base interactions energy: -113.502
where: short stacking energy: -83.103
Base-Backbone interact. energy: 0.809
local terms energy: -230.837893
where:
bonds (distance) C4'-P energy: -74.238
bonds (distance) P-C4' energy: -72.432
flat angles C4'-P-C4' energy: -60.269
flat angles P-C4'-P energy: -29.729
tors. eta vs tors. theta energy: 5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -307.188546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.188546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.188546 (E_RNA)
where:
Base-Base interactions energy: -95.557
where: short stacking energy: -82.963
Base-Backbone interact. energy: 3.517
local terms energy: -215.148361
where:
bonds (distance) C4'-P energy: -65.681
bonds (distance) P-C4' energy: -68.752
flat angles C4'-P-C4' energy: -53.636
flat angles P-C4'-P energy: -33.439
tors. eta vs tors. theta energy: 6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1431.457733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.457733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.457733 (E_RNA)
where:
Base-Base interactions energy: -971.946
where: short stacking energy: -418.879
Base-Backbone interact. energy: 2.852
local terms energy: -462.364308
where:
bonds (distance) C4'-P energy: -82.961
bonds (distance) P-C4' energy: -91.977
flat angles C4'-P-C4' energy: -83.006
flat angles P-C4'-P energy: -67.747
tors. eta vs tors. theta energy: -136.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1355.150966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.150966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.150966 (E_RNA)
where:
Base-Base interactions energy: -949.134
where: short stacking energy: -385.570
Base-Backbone interact. energy: -1.199
local terms energy: -404.817477
where:
bonds (distance) C4'-P energy: -74.584
bonds (distance) P-C4' energy: -73.742
flat angles C4'-P-C4' energy: -93.172
flat angles P-C4'-P energy: -54.753
tors. eta vs tors. theta energy: -108.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1297.573796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.573796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.573796 (E_RNA)
where:
Base-Base interactions energy: -899.162
where: short stacking energy: -365.663
Base-Backbone interact. energy: -1.052
local terms energy: -397.358971
where:
bonds (distance) C4'-P energy: -75.516
bonds (distance) P-C4' energy: -77.298
flat angles C4'-P-C4' energy: -78.615
flat angles P-C4'-P energy: -54.281
tors. eta vs tors. theta energy: -111.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1161.848504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.848504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.848504 (E_RNA)
where:
Base-Base interactions energy: -800.986
where: short stacking energy: -349.300
Base-Backbone interact. energy: -1.599
local terms energy: -359.263403
where:
bonds (distance) C4'-P energy: -66.228
bonds (distance) P-C4' energy: -71.337
flat angles C4'-P-C4' energy: -64.891
flat angles P-C4'-P energy: -61.849
tors. eta vs tors. theta energy: -94.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1077.347661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.347661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.347661 (E_RNA)
where:
Base-Base interactions energy: -716.205
where: short stacking energy: -327.433
Base-Backbone interact. energy: -1.186
local terms energy: -359.956970
where:
bonds (distance) C4'-P energy: -65.092
bonds (distance) P-C4' energy: -73.731
flat angles C4'-P-C4' energy: -85.997
flat angles P-C4'-P energy: -46.653
tors. eta vs tors. theta energy: -88.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -880.397968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.397968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.397968 (E_RNA)
where:
Base-Base interactions energy: -555.883
where: short stacking energy: -261.729
Base-Backbone interact. energy: -0.375
local terms energy: -324.139104
where:
bonds (distance) C4'-P energy: -75.770
bonds (distance) P-C4' energy: -67.811
flat angles C4'-P-C4' energy: -68.784
flat angles P-C4'-P energy: -50.784
tors. eta vs tors. theta energy: -60.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -798.002238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.002238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.002238 (E_RNA)
where:
Base-Base interactions energy: -484.073
where: short stacking energy: -218.489
Base-Backbone interact. energy: -3.085
local terms energy: -310.844783
where:
bonds (distance) C4'-P energy: -61.772
bonds (distance) P-C4' energy: -62.248
flat angles C4'-P-C4' energy: -70.497
flat angles P-C4'-P energy: -51.194
tors. eta vs tors. theta energy: -65.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -623.880614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.880614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.880614 (E_RNA)
where:
Base-Base interactions energy: -339.284
where: short stacking energy: -179.517
Base-Backbone interact. energy: -4.660
local terms energy: -279.936731
where:
bonds (distance) C4'-P energy: -57.584
bonds (distance) P-C4' energy: -75.425
flat angles C4'-P-C4' energy: -65.488
flat angles P-C4'-P energy: -44.459
tors. eta vs tors. theta energy: -36.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -363.046033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.046033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.046033 (E_RNA)
where:
Base-Base interactions energy: -144.358
where: short stacking energy: -106.111
Base-Backbone interact. energy: -3.753
local terms energy: -214.934654
where:
bonds (distance) C4'-P energy: -60.237
bonds (distance) P-C4' energy: -62.924
flat angles C4'-P-C4' energy: -64.158
flat angles P-C4'-P energy: -21.962
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -325.742762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.742762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.742762 (E_RNA)
where:
Base-Base interactions energy: -129.638
where: short stacking energy: -85.166
Base-Backbone interact. energy: -0.872
local terms energy: -195.232311
where:
bonds (distance) C4'-P energy: -53.547
bonds (distance) P-C4' energy: -53.073
flat angles C4'-P-C4' energy: -55.695
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: 9.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1411.984246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.984246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.984246 (E_RNA)
where:
Base-Base interactions energy: -968.837
where: short stacking energy: -408.787
Base-Backbone interact. energy: -1.724
local terms energy: -441.422556
where:
bonds (distance) C4'-P energy: -77.177
bonds (distance) P-C4' energy: -75.829
flat angles C4'-P-C4' energy: -89.853
flat angles P-C4'-P energy: -67.866
tors. eta vs tors. theta energy: -130.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1359.782400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.782400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.782400 (E_RNA)
where:
Base-Base interactions energy: -942.957
where: short stacking energy: -378.621
Base-Backbone interact. energy: -2.054
local terms energy: -414.771106
where:
bonds (distance) C4'-P energy: -72.950
bonds (distance) P-C4' energy: -71.932
flat angles C4'-P-C4' energy: -92.000
flat angles P-C4'-P energy: -60.957
tors. eta vs tors. theta energy: -116.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1284.381804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.381804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.381804 (E_RNA)
where:
Base-Base interactions energy: -898.146
where: short stacking energy: -388.538
Base-Backbone interact. energy: 0.552
local terms energy: -386.787928
where:
bonds (distance) C4'-P energy: -69.442
bonds (distance) P-C4' energy: -62.069
flat angles C4'-P-C4' energy: -84.933
flat angles P-C4'-P energy: -48.779
tors. eta vs tors. theta energy: -121.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1153.255872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.255872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.255872 (E_RNA)
where:
Base-Base interactions energy: -751.048
where: short stacking energy: -337.937
Base-Backbone interact. energy: -0.731
local terms energy: -401.476691
where:
bonds (distance) C4'-P energy: -82.949
bonds (distance) P-C4' energy: -77.149
flat angles C4'-P-C4' energy: -87.138
flat angles P-C4'-P energy: -51.824
tors. eta vs tors. theta energy: -102.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1078.640609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.640609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.640609 (E_RNA)
where:
Base-Base interactions energy: -717.122
where: short stacking energy: -301.622
Base-Backbone interact. energy: -2.448
local terms energy: -359.070789
where:
bonds (distance) C4'-P energy: -58.086
bonds (distance) P-C4' energy: -77.509
flat angles C4'-P-C4' energy: -77.826
flat angles P-C4'-P energy: -64.207
tors. eta vs tors. theta energy: -81.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -878.841512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.841512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.841512 (E_RNA)
where:
Base-Base interactions energy: -575.602
where: short stacking energy: -255.620
Base-Backbone interact. energy: -1.784
local terms energy: -301.455246
where:
bonds (distance) C4'-P energy: -60.193
bonds (distance) P-C4' energy: -68.399
flat angles C4'-P-C4' energy: -74.557
flat angles P-C4'-P energy: -42.212
tors. eta vs tors. theta energy: -56.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -740.816211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.816211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.816211 (E_RNA)
where:
Base-Base interactions energy: -461.595
where: short stacking energy: -229.074
Base-Backbone interact. energy: -0.113
local terms energy: -279.108327
where:
bonds (distance) C4'-P energy: -79.767
bonds (distance) P-C4' energy: -69.950
flat angles C4'-P-C4' energy: -55.615
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -42.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -580.589089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.589089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.589089 (E_RNA)
where:
Base-Base interactions energy: -333.947
where: short stacking energy: -165.586
Base-Backbone interact. energy: 0.922
local terms energy: -247.564320
where:
bonds (distance) C4'-P energy: -62.615
bonds (distance) P-C4' energy: -67.062
flat angles C4'-P-C4' energy: -58.163
flat angles P-C4'-P energy: -33.653
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -359.613489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.613489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.613489 (E_RNA)
where:
Base-Base interactions energy: -127.259
where: short stacking energy: -90.507
Base-Backbone interact. energy: -0.802
local terms energy: -231.552718
where:
bonds (distance) C4'-P energy: -67.496
bonds (distance) P-C4' energy: -75.317
flat angles C4'-P-C4' energy: -68.308
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: 8.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -314.207249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.207249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.207249 (E_RNA)
where:
Base-Base interactions energy: -116.662
where: short stacking energy: -88.666
Base-Backbone interact. energy: -0.689
local terms energy: -196.856369
where:
bonds (distance) C4'-P energy: -63.852
bonds (distance) P-C4' energy: -58.539
flat angles C4'-P-C4' energy: -49.734
flat angles P-C4'-P energy: -36.784
tors. eta vs tors. theta energy: 12.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1411.521697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.521697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.521697 (E_RNA)
where:
Base-Base interactions energy: -965.774
where: short stacking energy: -398.773
Base-Backbone interact. energy: -1.201
local terms energy: -444.547213
where:
bonds (distance) C4'-P energy: -79.394
bonds (distance) P-C4' energy: -77.125
flat angles C4'-P-C4' energy: -94.059
flat angles P-C4'-P energy: -63.476
tors. eta vs tors. theta energy: -130.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1377.735709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.735709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.735709 (E_RNA)
where:
Base-Base interactions energy: -967.684
where: short stacking energy: -390.244
Base-Backbone interact. energy: -0.321
local terms energy: -409.730850
where:
bonds (distance) C4'-P energy: -74.687
bonds (distance) P-C4' energy: -81.088
flat angles C4'-P-C4' energy: -91.206
flat angles P-C4'-P energy: -49.916
tors. eta vs tors. theta energy: -112.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1275.726293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.726293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.726293 (E_RNA)
where:
Base-Base interactions energy: -870.211
where: short stacking energy: -362.754
Base-Backbone interact. energy: -0.145
local terms energy: -405.370673
where:
bonds (distance) C4'-P energy: -82.525
bonds (distance) P-C4' energy: -80.134
flat angles C4'-P-C4' energy: -78.738
flat angles P-C4'-P energy: -53.555
tors. eta vs tors. theta energy: -110.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1135.096443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.096443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.096443 (E_RNA)
where:
Base-Base interactions energy: -753.847
where: short stacking energy: -327.243
Base-Backbone interact. energy: -1.613
local terms energy: -379.636564
where:
bonds (distance) C4'-P energy: -72.247
bonds (distance) P-C4' energy: -68.328
flat angles C4'-P-C4' energy: -81.377
flat angles P-C4'-P energy: -60.258
tors. eta vs tors. theta energy: -97.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1078.479474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.479474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.479474 (E_RNA)
where:
Base-Base interactions energy: -689.055
where: short stacking energy: -303.962
Base-Backbone interact. energy: -1.741
local terms energy: -387.684219
where:
bonds (distance) C4'-P energy: -73.293
bonds (distance) P-C4' energy: -80.485
flat angles C4'-P-C4' energy: -80.045
flat angles P-C4'-P energy: -58.126
tors. eta vs tors. theta energy: -95.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -882.017882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.017882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.017882 (E_RNA)
where:
Base-Base interactions energy: -550.795
where: short stacking energy: -245.563
Base-Backbone interact. energy: -0.581
local terms energy: -330.641761
where:
bonds (distance) C4'-P energy: -60.061
bonds (distance) P-C4' energy: -74.340
flat angles C4'-P-C4' energy: -86.200
flat angles P-C4'-P energy: -48.027
tors. eta vs tors. theta energy: -62.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -755.957184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.957184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.957184 (E_RNA)
where:
Base-Base interactions energy: -476.582
where: short stacking energy: -195.649
Base-Backbone interact. energy: -2.640
local terms energy: -276.735187
where:
bonds (distance) C4'-P energy: -67.564
bonds (distance) P-C4' energy: -80.709
flat angles C4'-P-C4' energy: -75.420
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -28.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -617.575849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.575849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.575849 (E_RNA)
where:
Base-Base interactions energy: -349.531
where: short stacking energy: -167.714
Base-Backbone interact. energy: 1.799
local terms energy: -269.843493
where:
bonds (distance) C4'-P energy: -73.393
bonds (distance) P-C4' energy: -70.158
flat angles C4'-P-C4' energy: -70.427
flat angles P-C4'-P energy: -30.111
tors. eta vs tors. theta energy: -25.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -347.967226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.967226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.967226 (E_RNA)
where:
Base-Base interactions energy: -154.988
where: short stacking energy: -112.552
Base-Backbone interact. energy: 1.095
local terms energy: -194.073777
where:
bonds (distance) C4'-P energy: -57.020
bonds (distance) P-C4' energy: -65.718
flat angles C4'-P-C4' energy: -52.914
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: 6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -333.797698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.797698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.797698 (E_RNA)
where:
Base-Base interactions energy: -120.088
where: short stacking energy: -90.729
Base-Backbone interact. energy: 0.830
local terms energy: -214.539754
where:
bonds (distance) C4'-P energy: -73.622
bonds (distance) P-C4' energy: -53.169
flat angles C4'-P-C4' energy: -59.538
flat angles P-C4'-P energy: -40.614
tors. eta vs tors. theta energy: 12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1428.371304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.371304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.371304 (E_RNA)
where:
Base-Base interactions energy: -983.166
where: short stacking energy: -440.473
Base-Backbone interact. energy: 1.396
local terms energy: -446.601450
where:
bonds (distance) C4'-P energy: -84.823
bonds (distance) P-C4' energy: -75.495
flat angles C4'-P-C4' energy: -95.546
flat angles P-C4'-P energy: -65.482
tors. eta vs tors. theta energy: -125.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1367.118882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.118882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.118882 (E_RNA)
where:
Base-Base interactions energy: -944.140
where: short stacking energy: -391.027
Base-Backbone interact. energy: -3.832
local terms energy: -419.146693
where:
bonds (distance) C4'-P energy: -77.023
bonds (distance) P-C4' energy: -82.924
flat angles C4'-P-C4' energy: -85.781
flat angles P-C4'-P energy: -59.313
tors. eta vs tors. theta energy: -114.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1258.527782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.527782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.527782 (E_RNA)
where:
Base-Base interactions energy: -854.292
where: short stacking energy: -359.039
Base-Backbone interact. energy: 3.590
local terms energy: -407.825581
where:
bonds (distance) C4'-P energy: -76.938
bonds (distance) P-C4' energy: -73.896
flat angles C4'-P-C4' energy: -92.212
flat angles P-C4'-P energy: -54.056
tors. eta vs tors. theta energy: -110.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1146.228144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.228144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.228144 (E_RNA)
where:
Base-Base interactions energy: -793.223
where: short stacking energy: -351.258
Base-Backbone interact. energy: -1.400
local terms energy: -351.605163
where:
bonds (distance) C4'-P energy: -70.340
bonds (distance) P-C4' energy: -73.883
flat angles C4'-P-C4' energy: -78.198
flat angles P-C4'-P energy: -40.109
tors. eta vs tors. theta energy: -89.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1057.449694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.449694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.449694 (E_RNA)
where:
Base-Base interactions energy: -698.102
where: short stacking energy: -303.583
Base-Backbone interact. energy: -1.962
local terms energy: -357.385199
where:
bonds (distance) C4'-P energy: -86.820
bonds (distance) P-C4' energy: -68.425
flat angles C4'-P-C4' energy: -75.178
flat angles P-C4'-P energy: -49.760
tors. eta vs tors. theta energy: -77.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -906.237977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.237977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.237977 (E_RNA)
where:
Base-Base interactions energy: -564.704
where: short stacking energy: -278.098
Base-Backbone interact. energy: -0.097
local terms energy: -341.436610
where:
bonds (distance) C4'-P energy: -71.167
bonds (distance) P-C4' energy: -74.450
flat angles C4'-P-C4' energy: -71.426
flat angles P-C4'-P energy: -52.894
tors. eta vs tors. theta energy: -71.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -789.014365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.014365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.014365 (E_RNA)
where:
Base-Base interactions energy: -487.232
where: short stacking energy: -233.273
Base-Backbone interact. energy: 1.294
local terms energy: -303.076571
where:
bonds (distance) C4'-P energy: -69.508
bonds (distance) P-C4' energy: -57.222
flat angles C4'-P-C4' energy: -77.665
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: -58.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -646.939195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.939195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.939195 (E_RNA)
where:
Base-Base interactions energy: -370.506
where: short stacking energy: -185.371
Base-Backbone interact. energy: 1.369
local terms energy: -277.801918
where:
bonds (distance) C4'-P energy: -79.764
bonds (distance) P-C4' energy: -72.433
flat angles C4'-P-C4' energy: -54.594
flat angles P-C4'-P energy: -46.408
tors. eta vs tors. theta energy: -24.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -345.781326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.781326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.781326 (E_RNA)
where:
Base-Base interactions energy: -135.972
where: short stacking energy: -117.808
Base-Backbone interact. energy: -1.800
local terms energy: -208.008835
where:
bonds (distance) C4'-P energy: -62.725
bonds (distance) P-C4' energy: -58.854
flat angles C4'-P-C4' energy: -60.852
flat angles P-C4'-P energy: -35.716
tors. eta vs tors. theta energy: 10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -326.733753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.733753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.733753 (E_RNA)
where:
Base-Base interactions energy: -116.142
where: short stacking energy: -96.417
Base-Backbone interact. energy: 2.676
local terms energy: -213.268148
where:
bonds (distance) C4'-P energy: -74.172
bonds (distance) P-C4' energy: -75.199
flat angles C4'-P-C4' energy: -53.438
flat angles P-C4'-P energy: -24.378
tors. eta vs tors. theta energy: 13.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1422.057653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.057653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.057653 (E_RNA)
where:
Base-Base interactions energy: -980.766
where: short stacking energy: -422.217
Base-Backbone interact. energy: -1.429
local terms energy: -439.862589
where:
bonds (distance) C4'-P energy: -67.761
bonds (distance) P-C4' energy: -84.945
flat angles C4'-P-C4' energy: -90.434
flat angles P-C4'-P energy: -67.119
tors. eta vs tors. theta energy: -129.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1369.836813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.836813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.836813 (E_RNA)
where:
Base-Base interactions energy: -944.532
where: short stacking energy: -382.712
Base-Backbone interact. energy: -1.182
local terms energy: -424.122704
where:
bonds (distance) C4'-P energy: -69.473
bonds (distance) P-C4' energy: -89.971
flat angles C4'-P-C4' energy: -84.633
flat angles P-C4'-P energy: -69.933
tors. eta vs tors. theta energy: -110.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1269.697172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.697172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.697172 (E_RNA)
where:
Base-Base interactions energy: -880.594
where: short stacking energy: -364.102
Base-Backbone interact. energy: -0.294
local terms energy: -388.808597
where:
bonds (distance) C4'-P energy: -65.628
bonds (distance) P-C4' energy: -75.413
flat angles C4'-P-C4' energy: -89.359
flat angles P-C4'-P energy: -48.664
tors. eta vs tors. theta energy: -109.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1206.436719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.436719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.436719 (E_RNA)
where:
Base-Base interactions energy: -795.293
where: short stacking energy: -349.314
Base-Backbone interact. energy: -1.743
local terms energy: -409.401452
where:
bonds (distance) C4'-P energy: -69.951
bonds (distance) P-C4' energy: -82.765
flat angles C4'-P-C4' energy: -89.624
flat angles P-C4'-P energy: -58.079
tors. eta vs tors. theta energy: -108.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1031.043158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.043158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.043158 (E_RNA)
where:
Base-Base interactions energy: -698.867
where: short stacking energy: -274.406
Base-Backbone interact. energy: -2.597
local terms energy: -329.579069
where:
bonds (distance) C4'-P energy: -71.780
bonds (distance) P-C4' energy: -72.237
flat angles C4'-P-C4' energy: -73.967
flat angles P-C4'-P energy: -42.376
tors. eta vs tors. theta energy: -69.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -907.397935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.397935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.397935 (E_RNA)
where:
Base-Base interactions energy: -566.913
where: short stacking energy: -254.122
Base-Backbone interact. energy: -1.824
local terms energy: -338.660522
where:
bonds (distance) C4'-P energy: -74.235
bonds (distance) P-C4' energy: -75.722
flat angles C4'-P-C4' energy: -73.542
flat angles P-C4'-P energy: -46.914
tors. eta vs tors. theta energy: -68.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -815.718592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.718592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.718592 (E_RNA)
where:
Base-Base interactions energy: -511.534
where: short stacking energy: -228.916
Base-Backbone interact. energy: -0.383
local terms energy: -303.802161
where:
bonds (distance) C4'-P energy: -70.230
bonds (distance) P-C4' energy: -74.031
flat angles C4'-P-C4' energy: -65.344
flat angles P-C4'-P energy: -44.074
tors. eta vs tors. theta energy: -50.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -619.435471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.435471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.435471 (E_RNA)
where:
Base-Base interactions energy: -344.162
where: short stacking energy: -187.187
Base-Backbone interact. energy: -1.057
local terms energy: -274.216509
where:
bonds (distance) C4'-P energy: -56.720
bonds (distance) P-C4' energy: -62.892
flat angles C4'-P-C4' energy: -72.111
flat angles P-C4'-P energy: -49.082
tors. eta vs tors. theta energy: -33.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -323.742218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.742218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.742218 (E_RNA)
where:
Base-Base interactions energy: -135.486
where: short stacking energy: -104.870
Base-Backbone interact. energy: -1.131
local terms energy: -187.125319
where:
bonds (distance) C4'-P energy: -63.000
bonds (distance) P-C4' energy: -62.197
flat angles C4'-P-C4' energy: -35.830
flat angles P-C4'-P energy: -34.927
tors. eta vs tors. theta energy: 8.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -333.876457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.876457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.876457 (E_RNA)
where:
Base-Base interactions energy: -119.672
where: short stacking energy: -105.766
Base-Backbone interact. energy: -0.656
local terms energy: -213.548315
where:
bonds (distance) C4'-P energy: -60.088
bonds (distance) P-C4' energy: -64.971
flat angles C4'-P-C4' energy: -61.099
flat angles P-C4'-P energy: -36.624
tors. eta vs tors. theta energy: 9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1419.177220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.177220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.177220 (E_RNA)
where:
Base-Base interactions energy: -973.172
where: short stacking energy: -405.167
Base-Backbone interact. energy: -3.079
local terms energy: -442.926423
where:
bonds (distance) C4'-P energy: -77.401
bonds (distance) P-C4' energy: -86.750
flat angles C4'-P-C4' energy: -89.852
flat angles P-C4'-P energy: -60.201
tors. eta vs tors. theta energy: -128.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1354.847356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.847356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.847356 (E_RNA)
where:
Base-Base interactions energy: -946.488
where: short stacking energy: -388.112
Base-Backbone interact. energy: -1.574
local terms energy: -406.785422
where:
bonds (distance) C4'-P energy: -71.009
bonds (distance) P-C4' energy: -74.106
flat angles C4'-P-C4' energy: -88.661
flat angles P-C4'-P energy: -56.098
tors. eta vs tors. theta energy: -116.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1291.345689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.345689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.345689 (E_RNA)
where:
Base-Base interactions energy: -883.723
where: short stacking energy: -376.117
Base-Backbone interact. energy: 2.064
local terms energy: -409.687106
where:
bonds (distance) C4'-P energy: -82.060
bonds (distance) P-C4' energy: -71.929
flat angles C4'-P-C4' energy: -80.687
flat angles P-C4'-P energy: -62.034
tors. eta vs tors. theta energy: -112.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1152.871412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.871412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.871412 (E_RNA)
where:
Base-Base interactions energy: -787.363
where: short stacking energy: -335.634
Base-Backbone interact. energy: -2.190
local terms energy: -363.318545
where:
bonds (distance) C4'-P energy: -81.280
bonds (distance) P-C4' energy: -79.425
flat angles C4'-P-C4' energy: -79.566
flat angles P-C4'-P energy: -29.380
tors. eta vs tors. theta energy: -93.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1038.613704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.613704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.613704 (E_RNA)
where:
Base-Base interactions energy: -700.341
where: short stacking energy: -304.317
Base-Backbone interact. energy: 3.370
local terms energy: -341.643131
where:
bonds (distance) C4'-P energy: -59.653
bonds (distance) P-C4' energy: -83.479
flat angles C4'-P-C4' energy: -67.027
flat angles P-C4'-P energy: -49.775
tors. eta vs tors. theta energy: -81.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -889.270384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.270384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.270384 (E_RNA)
where:
Base-Base interactions energy: -588.833
where: short stacking energy: -254.455
Base-Backbone interact. energy: -0.776
local terms energy: -299.661762
where:
bonds (distance) C4'-P energy: -60.637
bonds (distance) P-C4' energy: -66.548
flat angles C4'-P-C4' energy: -63.737
flat angles P-C4'-P energy: -46.798
tors. eta vs tors. theta energy: -61.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -772.218414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.218414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.218414 (E_RNA)
where:
Base-Base interactions energy: -471.117
where: short stacking energy: -208.659
Base-Backbone interact. energy: -1.658
local terms energy: -299.443426
where:
bonds (distance) C4'-P energy: -63.828
bonds (distance) P-C4' energy: -79.017
flat angles C4'-P-C4' energy: -75.647
flat angles P-C4'-P energy: -42.655
tors. eta vs tors. theta energy: -38.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -577.573724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.573724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.573724 (E_RNA)
where:
Base-Base interactions energy: -334.573
where: short stacking energy: -186.935
Base-Backbone interact. energy: -2.698
local terms energy: -240.303137
where:
bonds (distance) C4'-P energy: -59.621
bonds (distance) P-C4' energy: -61.653
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -34.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -347.007102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.007102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.007102 (E_RNA)
where:
Base-Base interactions energy: -104.881
where: short stacking energy: -92.056
Base-Backbone interact. energy: 5.192
local terms energy: -247.318043
where:
bonds (distance) C4'-P energy: -65.561
bonds (distance) P-C4' energy: -63.237
flat angles C4'-P-C4' energy: -68.282
flat angles P-C4'-P energy: -46.788
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -296.600397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.600397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.600397 (E_RNA)
where:
Base-Base interactions energy: -92.345
where: short stacking energy: -76.915
Base-Backbone interact. energy: -0.935
local terms energy: -203.320119
where:
bonds (distance) C4'-P energy: -72.475
bonds (distance) P-C4' energy: -76.718
flat angles C4'-P-C4' energy: -55.254
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: 18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1446.971367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.971367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.971367 (E_RNA)
where:
Base-Base interactions energy: -996.130
where: short stacking energy: -409.833
Base-Backbone interact. energy: -1.386
local terms energy: -449.456269
where:
bonds (distance) C4'-P energy: -78.406
bonds (distance) P-C4' energy: -84.440
flat angles C4'-P-C4' energy: -94.241
flat angles P-C4'-P energy: -62.025
tors. eta vs tors. theta energy: -130.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1359.202609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.202609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.202609 (E_RNA)
where:
Base-Base interactions energy: -963.349
where: short stacking energy: -402.787
Base-Backbone interact. energy: -1.163
local terms energy: -394.690550
where:
bonds (distance) C4'-P energy: -75.118
bonds (distance) P-C4' energy: -68.620
flat angles C4'-P-C4' energy: -86.025
flat angles P-C4'-P energy: -53.354
tors. eta vs tors. theta energy: -111.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1309.286940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.286940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.286940 (E_RNA)
where:
Base-Base interactions energy: -887.648
where: short stacking energy: -363.317
Base-Backbone interact. energy: -2.296
local terms energy: -419.342921
where:
bonds (distance) C4'-P energy: -75.493
bonds (distance) P-C4' energy: -83.545
flat angles C4'-P-C4' energy: -78.056
flat angles P-C4'-P energy: -59.515
tors. eta vs tors. theta energy: -122.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1143.774835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.774835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.774835 (E_RNA)
where:
Base-Base interactions energy: -765.781
where: short stacking energy: -337.624
Base-Backbone interact. energy: -1.595
local terms energy: -376.398684
where:
bonds (distance) C4'-P energy: -61.066
bonds (distance) P-C4' energy: -74.018
flat angles C4'-P-C4' energy: -91.690
flat angles P-C4'-P energy: -45.769
tors. eta vs tors. theta energy: -103.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1039.601646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.601646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.601646 (E_RNA)
where:
Base-Base interactions energy: -705.933
where: short stacking energy: -294.960
Base-Backbone interact. energy: -1.890
local terms energy: -331.779198
where:
bonds (distance) C4'-P energy: -68.111
bonds (distance) P-C4' energy: -60.620
flat angles C4'-P-C4' energy: -82.428
flat angles P-C4'-P energy: -46.840
tors. eta vs tors. theta energy: -73.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -920.481779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.481779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.481779 (E_RNA)
where:
Base-Base interactions energy: -584.201
where: short stacking energy: -274.184
Base-Backbone interact. energy: -2.386
local terms energy: -333.894668
where:
bonds (distance) C4'-P energy: -70.845
bonds (distance) P-C4' energy: -69.652
flat angles C4'-P-C4' energy: -70.874
flat angles P-C4'-P energy: -48.628
tors. eta vs tors. theta energy: -73.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -791.948405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.948405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.948405 (E_RNA)
where:
Base-Base interactions energy: -493.478
where: short stacking energy: -216.556
Base-Backbone interact. energy: -1.555
local terms energy: -296.915746
where:
bonds (distance) C4'-P energy: -70.938
bonds (distance) P-C4' energy: -74.252
flat angles C4'-P-C4' energy: -69.415
flat angles P-C4'-P energy: -38.175
tors. eta vs tors. theta energy: -44.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -590.886070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.886070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.886070 (E_RNA)
where:
Base-Base interactions energy: -307.814
where: short stacking energy: -171.312
Base-Backbone interact. energy: -1.117
local terms energy: -281.954977
where:
bonds (distance) C4'-P energy: -81.521
bonds (distance) P-C4' energy: -64.421
flat angles C4'-P-C4' energy: -66.646
flat angles P-C4'-P energy: -42.605
tors. eta vs tors. theta energy: -26.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -378.643762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.643762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.643762 (E_RNA)
where:
Base-Base interactions energy: -175.544
where: short stacking energy: -123.135
Base-Backbone interact. energy: 6.355
local terms energy: -209.454868
where:
bonds (distance) C4'-P energy: -54.588
bonds (distance) P-C4' energy: -61.861
flat angles C4'-P-C4' energy: -56.328
flat angles P-C4'-P energy: -42.557
tors. eta vs tors. theta energy: 5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -327.938236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.938236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.938236 (E_RNA)
where:
Base-Base interactions energy: -108.192
where: short stacking energy: -91.225
Base-Backbone interact. energy: 2.721
local terms energy: -222.467403
where:
bonds (distance) C4'-P energy: -72.276
bonds (distance) P-C4' energy: -62.199
flat angles C4'-P-C4' energy: -64.577
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: 15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1426.268357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.268357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.268357 (E_RNA)
where:
Base-Base interactions energy: -985.961
where: short stacking energy: -417.352
Base-Backbone interact. energy: -2.310
local terms energy: -437.996907
where:
bonds (distance) C4'-P energy: -80.122
bonds (distance) P-C4' energy: -81.537
flat angles C4'-P-C4' energy: -92.149
flat angles P-C4'-P energy: -54.385
tors. eta vs tors. theta energy: -129.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1375.706423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.706423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.706423 (E_RNA)
where:
Base-Base interactions energy: -950.408
where: short stacking energy: -392.674
Base-Backbone interact. energy: -1.192
local terms energy: -424.106772
where:
bonds (distance) C4'-P energy: -74.722
bonds (distance) P-C4' energy: -81.870
flat angles C4'-P-C4' energy: -90.767
flat angles P-C4'-P energy: -58.036
tors. eta vs tors. theta energy: -118.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1310.528487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.528487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.528487 (E_RNA)
where:
Base-Base interactions energy: -880.206
where: short stacking energy: -373.626
Base-Backbone interact. energy: -2.241
local terms energy: -428.080846
where:
bonds (distance) C4'-P energy: -88.339
bonds (distance) P-C4' energy: -71.615
flat angles C4'-P-C4' energy: -86.152
flat angles P-C4'-P energy: -56.395
tors. eta vs tors. theta energy: -125.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1172.862422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.862422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.862422 (E_RNA)
where:
Base-Base interactions energy: -784.699
where: short stacking energy: -341.001
Base-Backbone interact. energy: -1.652
local terms energy: -386.510733
where:
bonds (distance) C4'-P energy: -71.187
bonds (distance) P-C4' energy: -74.238
flat angles C4'-P-C4' energy: -89.456
flat angles P-C4'-P energy: -52.845
tors. eta vs tors. theta energy: -98.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1008.320359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.320359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.320359 (E_RNA)
where:
Base-Base interactions energy: -672.167
where: short stacking energy: -285.875
Base-Backbone interact. energy: -1.420
local terms energy: -334.733529
where:
bonds (distance) C4'-P energy: -80.996
bonds (distance) P-C4' energy: -67.891
flat angles C4'-P-C4' energy: -77.961
flat angles P-C4'-P energy: -42.053
tors. eta vs tors. theta energy: -65.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -868.205921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.205921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.205921 (E_RNA)
where:
Base-Base interactions energy: -543.481
where: short stacking energy: -236.958
Base-Backbone interact. energy: -1.381
local terms energy: -323.343825
where:
bonds (distance) C4'-P energy: -78.371
bonds (distance) P-C4' energy: -69.857
flat angles C4'-P-C4' energy: -67.985
flat angles P-C4'-P energy: -46.628
tors. eta vs tors. theta energy: -60.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -784.275163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.275163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.275163 (E_RNA)
where:
Base-Base interactions energy: -509.354
where: short stacking energy: -223.557
Base-Backbone interact. energy: -0.780
local terms energy: -274.141555
where:
bonds (distance) C4'-P energy: -40.115
bonds (distance) P-C4' energy: -69.128
flat angles C4'-P-C4' energy: -67.214
flat angles P-C4'-P energy: -48.828
tors. eta vs tors. theta energy: -48.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -598.908439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.908439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.908439 (E_RNA)
where:
Base-Base interactions energy: -353.174
where: short stacking energy: -177.681
Base-Backbone interact. energy: 4.108
local terms energy: -249.841810
where:
bonds (distance) C4'-P energy: -66.867
bonds (distance) P-C4' energy: -60.508
flat angles C4'-P-C4' energy: -62.062
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -339.148181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.148181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.148181 (E_RNA)
where:
Base-Base interactions energy: -133.122
where: short stacking energy: -107.863
Base-Backbone interact. energy: -1.487
local terms energy: -204.539048
where:
bonds (distance) C4'-P energy: -59.991
bonds (distance) P-C4' energy: -58.432
flat angles C4'-P-C4' energy: -47.276
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -393.942542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.942542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.942542 (E_RNA)
where:
Base-Base interactions energy: -180.600
where: short stacking energy: -109.286
Base-Backbone interact. energy: -0.906
local terms energy: -212.436594
where:
bonds (distance) C4'-P energy: -60.486
bonds (distance) P-C4' energy: -70.710
flat angles C4'-P-C4' energy: -49.763
flat angles P-C4'-P energy: -38.534
tors. eta vs tors. theta energy: 7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1418.256734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.256734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.256734 (E_RNA)
where:
Base-Base interactions energy: -981.631
where: short stacking energy: -403.253
Base-Backbone interact. energy: -0.836
local terms energy: -435.789743
where:
bonds (distance) C4'-P energy: -73.837
bonds (distance) P-C4' energy: -86.561
flat angles C4'-P-C4' energy: -91.948
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -130.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1351.156737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.156737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.156737 (E_RNA)
where:
Base-Base interactions energy: -940.991
where: short stacking energy: -380.708
Base-Backbone interact. energy: -2.276
local terms energy: -407.889313
where:
bonds (distance) C4'-P energy: -73.408
bonds (distance) P-C4' energy: -84.346
flat angles C4'-P-C4' energy: -84.051
flat angles P-C4'-P energy: -56.553
tors. eta vs tors. theta energy: -109.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1293.527143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.527143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.527143 (E_RNA)
where:
Base-Base interactions energy: -865.849
where: short stacking energy: -366.769
Base-Backbone interact. energy: -1.656
local terms energy: -426.022111
where:
bonds (distance) C4'-P energy: -77.302
bonds (distance) P-C4' energy: -78.536
flat angles C4'-P-C4' energy: -87.651
flat angles P-C4'-P energy: -61.563
tors. eta vs tors. theta energy: -120.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1134.714894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.714894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.714894 (E_RNA)
where:
Base-Base interactions energy: -764.457
where: short stacking energy: -312.020
Base-Backbone interact. energy: -2.010
local terms energy: -368.247920
where:
bonds (distance) C4'-P energy: -71.862
bonds (distance) P-C4' energy: -79.961
flat angles C4'-P-C4' energy: -73.499
flat angles P-C4'-P energy: -55.975
tors. eta vs tors. theta energy: -86.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1022.604340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.604340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.604340 (E_RNA)
where:
Base-Base interactions energy: -693.318
where: short stacking energy: -282.983
Base-Backbone interact. energy: 0.952
local terms energy: -330.238504
where:
bonds (distance) C4'-P energy: -58.596
bonds (distance) P-C4' energy: -70.466
flat angles C4'-P-C4' energy: -76.627
flat angles P-C4'-P energy: -55.041
tors. eta vs tors. theta energy: -69.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -865.649871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.649871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.649871 (E_RNA)
where:
Base-Base interactions energy: -544.155
where: short stacking energy: -267.167
Base-Backbone interact. energy: -2.059
local terms energy: -319.435048
where:
bonds (distance) C4'-P energy: -69.223
bonds (distance) P-C4' energy: -68.951
flat angles C4'-P-C4' energy: -71.170
flat angles P-C4'-P energy: -46.648
tors. eta vs tors. theta energy: -63.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -778.618255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.618255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.618255 (E_RNA)
where:
Base-Base interactions energy: -489.542
where: short stacking energy: -216.766
Base-Backbone interact. energy: 3.822
local terms energy: -292.897744
where:
bonds (distance) C4'-P energy: -49.282
bonds (distance) P-C4' energy: -83.555
flat angles C4'-P-C4' energy: -72.090
flat angles P-C4'-P energy: -48.817
tors. eta vs tors. theta energy: -39.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -598.368831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.368831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.368831 (E_RNA)
where:
Base-Base interactions energy: -332.178
where: short stacking energy: -176.270
Base-Backbone interact. energy: -1.181
local terms energy: -265.010076
where:
bonds (distance) C4'-P energy: -52.061
bonds (distance) P-C4' energy: -67.884
flat angles C4'-P-C4' energy: -71.923
flat angles P-C4'-P energy: -48.798
tors. eta vs tors. theta energy: -24.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -432.529833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.529833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.529833 (E_RNA)
where:
Base-Base interactions energy: -180.570
where: short stacking energy: -103.229
Base-Backbone interact. energy: -0.685
local terms energy: -251.274254
where:
bonds (distance) C4'-P energy: -77.415
bonds (distance) P-C4' energy: -73.107
flat angles C4'-P-C4' energy: -57.429
flat angles P-C4'-P energy: -43.743
tors. eta vs tors. theta energy: 0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -311.684962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.684962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.684962 (E_RNA)
where:
Base-Base interactions energy: -111.622
where: short stacking energy: -98.362
Base-Backbone interact. energy: -0.858
local terms energy: -199.205772
where:
bonds (distance) C4'-P energy: -70.078
bonds (distance) P-C4' energy: -54.827
flat angles C4'-P-C4' energy: -63.122
flat angles P-C4'-P energy: -26.966
tors. eta vs tors. theta energy: 15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1423.830283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.830283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.830283 (E_RNA)
where:
Base-Base interactions energy: -989.750
where: short stacking energy: -411.867
Base-Backbone interact. energy: -1.271
local terms energy: -432.808862
where:
bonds (distance) C4'-P energy: -78.982
bonds (distance) P-C4' energy: -73.131
flat angles C4'-P-C4' energy: -94.938
flat angles P-C4'-P energy: -60.666
tors. eta vs tors. theta energy: -125.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1339.935846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.935846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.935846 (E_RNA)
where:
Base-Base interactions energy: -966.980
where: short stacking energy: -393.943
Base-Backbone interact. energy: -1.829
local terms energy: -371.126359
where:
bonds (distance) C4'-P energy: -67.733
bonds (distance) P-C4' energy: -60.657
flat angles C4'-P-C4' energy: -78.988
flat angles P-C4'-P energy: -52.950
tors. eta vs tors. theta energy: -110.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1309.001294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.001294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.001294 (E_RNA)
where:
Base-Base interactions energy: -910.595
where: short stacking energy: -394.308
Base-Backbone interact. energy: -1.394
local terms energy: -397.012252
where:
bonds (distance) C4'-P energy: -68.474
bonds (distance) P-C4' energy: -68.982
flat angles C4'-P-C4' energy: -87.422
flat angles P-C4'-P energy: -52.393
tors. eta vs tors. theta energy: -119.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1155.439287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.439287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.439287 (E_RNA)
where:
Base-Base interactions energy: -788.670
where: short stacking energy: -346.618
Base-Backbone interact. energy: -1.498
local terms energy: -365.271873
where:
bonds (distance) C4'-P energy: -67.072
bonds (distance) P-C4' energy: -74.680
flat angles C4'-P-C4' energy: -84.233
flat angles P-C4'-P energy: -49.624
tors. eta vs tors. theta energy: -89.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1046.545364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.545364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.545364 (E_RNA)
where:
Base-Base interactions energy: -697.727
where: short stacking energy: -280.958
Base-Backbone interact. energy: -0.738
local terms energy: -348.080488
where:
bonds (distance) C4'-P energy: -59.413
bonds (distance) P-C4' energy: -78.769
flat angles C4'-P-C4' energy: -78.914
flat angles P-C4'-P energy: -57.838
tors. eta vs tors. theta energy: -73.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -903.364849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.364849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.364849 (E_RNA)
where:
Base-Base interactions energy: -571.806
where: short stacking energy: -255.991
Base-Backbone interact. energy: 0.252
local terms energy: -331.810295
where:
bonds (distance) C4'-P energy: -65.611
bonds (distance) P-C4' energy: -72.238
flat angles C4'-P-C4' energy: -75.009
flat angles P-C4'-P energy: -51.045
tors. eta vs tors. theta energy: -67.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -741.568803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.568803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.568803 (E_RNA)
where:
Base-Base interactions energy: -456.737
where: short stacking energy: -190.957
Base-Backbone interact. energy: 3.995
local terms energy: -288.826591
where:
bonds (distance) C4'-P energy: -57.609
bonds (distance) P-C4' energy: -76.182
flat angles C4'-P-C4' energy: -77.633
flat angles P-C4'-P energy: -41.251
tors. eta vs tors. theta energy: -36.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -604.416079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.416079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.416079 (E_RNA)
where:
Base-Base interactions energy: -335.609
where: short stacking energy: -209.104
Base-Backbone interact. energy: -1.196
local terms energy: -267.611461
where:
bonds (distance) C4'-P energy: -66.090
bonds (distance) P-C4' energy: -63.943
flat angles C4'-P-C4' energy: -66.673
flat angles P-C4'-P energy: -36.423
tors. eta vs tors. theta energy: -34.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -429.167101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.167101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.167101 (E_RNA)
where:
Base-Base interactions energy: -197.059
where: short stacking energy: -118.239
Base-Backbone interact. energy: 0.430
local terms energy: -232.538078
where:
bonds (distance) C4'-P energy: -67.886
bonds (distance) P-C4' energy: -62.417
flat angles C4'-P-C4' energy: -61.411
flat angles P-C4'-P energy: -36.029
tors. eta vs tors. theta energy: -4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -328.136173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.136173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.136173 (E_RNA)
where:
Base-Base interactions energy: -105.868
where: short stacking energy: -92.387
Base-Backbone interact. energy: 2.203
local terms energy: -224.471522
where:
bonds (distance) C4'-P energy: -65.113
bonds (distance) P-C4' energy: -73.204
flat angles C4'-P-C4' energy: -61.673
flat angles P-C4'-P energy: -32.884
tors. eta vs tors. theta energy: 8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1412.249631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.249631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.249631 (E_RNA)
where:
Base-Base interactions energy: -976.394
where: short stacking energy: -392.594
Base-Backbone interact. energy: -0.626
local terms energy: -435.229258
where:
bonds (distance) C4'-P energy: -77.671
bonds (distance) P-C4' energy: -82.796
flat angles C4'-P-C4' energy: -91.396
flat angles P-C4'-P energy: -61.890
tors. eta vs tors. theta energy: -121.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1348.996059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.996059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.996059 (E_RNA)
where:
Base-Base interactions energy: -940.052
where: short stacking energy: -380.951
Base-Backbone interact. energy: -3.149
local terms energy: -405.795169
where:
bonds (distance) C4'-P energy: -68.213
bonds (distance) P-C4' energy: -78.297
flat angles C4'-P-C4' energy: -93.600
flat angles P-C4'-P energy: -53.304
tors. eta vs tors. theta energy: -112.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1329.071854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.071854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.071854 (E_RNA)
where:
Base-Base interactions energy: -919.323
where: short stacking energy: -391.238
Base-Backbone interact. energy: 1.111
local terms energy: -410.860001
where:
bonds (distance) C4'-P energy: -62.402
bonds (distance) P-C4' energy: -87.080
flat angles C4'-P-C4' energy: -83.140
flat angles P-C4'-P energy: -55.160
tors. eta vs tors. theta energy: -123.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1169.144300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.144300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.144300 (E_RNA)
where:
Base-Base interactions energy: -779.750
where: short stacking energy: -348.277
Base-Backbone interact. energy: 0.160
local terms energy: -389.554564
where:
bonds (distance) C4'-P energy: -74.342
bonds (distance) P-C4' energy: -71.089
flat angles C4'-P-C4' energy: -90.446
flat angles P-C4'-P energy: -55.851
tors. eta vs tors. theta energy: -97.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1068.939292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.939292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.939292 (E_RNA)
where:
Base-Base interactions energy: -707.849
where: short stacking energy: -311.923
Base-Backbone interact. energy: -2.239
local terms energy: -358.851618
where:
bonds (distance) C4'-P energy: -72.310
bonds (distance) P-C4' energy: -64.968
flat angles C4'-P-C4' energy: -86.032
flat angles P-C4'-P energy: -54.394
tors. eta vs tors. theta energy: -81.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -866.155710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.155710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.155710 (E_RNA)
where:
Base-Base interactions energy: -554.566
where: short stacking energy: -254.181
Base-Backbone interact. energy: -0.745
local terms energy: -310.845237
where:
bonds (distance) C4'-P energy: -70.601
bonds (distance) P-C4' energy: -70.667
flat angles C4'-P-C4' energy: -67.329
flat angles P-C4'-P energy: -46.736
tors. eta vs tors. theta energy: -55.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -736.831173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.831173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.831173 (E_RNA)
where:
Base-Base interactions energy: -473.245
where: short stacking energy: -210.745
Base-Backbone interact. energy: 0.429
local terms energy: -264.015156
where:
bonds (distance) C4'-P energy: -65.687
bonds (distance) P-C4' energy: -61.021
flat angles C4'-P-C4' energy: -69.000
flat angles P-C4'-P energy: -32.571
tors. eta vs tors. theta energy: -35.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -597.177190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.177190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.177190 (E_RNA)
where:
Base-Base interactions energy: -335.434
where: short stacking energy: -163.045
Base-Backbone interact. energy: -1.235
local terms energy: -260.508419
where:
bonds (distance) C4'-P energy: -65.156
bonds (distance) P-C4' energy: -62.605
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -61.145
tors. eta vs tors. theta energy: -32.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -456.065086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.065086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.065086 (E_RNA)
where:
Base-Base interactions energy: -206.039
where: short stacking energy: -126.218
Base-Backbone interact. energy: -0.014
local terms energy: -250.012116
where:
bonds (distance) C4'-P energy: -68.316
bonds (distance) P-C4' energy: -67.709
flat angles C4'-P-C4' energy: -62.459
flat angles P-C4'-P energy: -33.697
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -326.867309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.867309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.867309 (E_RNA)
where:
Base-Base interactions energy: -131.503
where: short stacking energy: -94.178
Base-Backbone interact. energy: 1.202
local terms energy: -196.566003
where:
bonds (distance) C4'-P energy: -49.522
bonds (distance) P-C4' energy: -53.257
flat angles C4'-P-C4' energy: -60.617
flat angles P-C4'-P energy: -37.864
tors. eta vs tors. theta energy: 4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1410.924206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.924206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.924206 (E_RNA)
where:
Base-Base interactions energy: -985.244
where: short stacking energy: -446.543
Base-Backbone interact. energy: -0.057
local terms energy: -425.623199
where:
bonds (distance) C4'-P energy: -83.432
bonds (distance) P-C4' energy: -73.282
flat angles C4'-P-C4' energy: -84.897
flat angles P-C4'-P energy: -58.591
tors. eta vs tors. theta energy: -125.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1356.912563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.912563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.912563 (E_RNA)
where:
Base-Base interactions energy: -945.944
where: short stacking energy: -387.940
Base-Backbone interact. energy: -0.203
local terms energy: -410.765329
where:
bonds (distance) C4'-P energy: -63.727
bonds (distance) P-C4' energy: -85.718
flat angles C4'-P-C4' energy: -90.077
flat angles P-C4'-P energy: -57.664
tors. eta vs tors. theta energy: -113.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1308.462287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.462287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.462287 (E_RNA)
where:
Base-Base interactions energy: -906.645
where: short stacking energy: -389.166
Base-Backbone interact. energy: -2.665
local terms energy: -399.151899
where:
bonds (distance) C4'-P energy: -75.387
bonds (distance) P-C4' energy: -69.450
flat angles C4'-P-C4' energy: -84.772
flat angles P-C4'-P energy: -48.590
tors. eta vs tors. theta energy: -120.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1181.533171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.533171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.533171 (E_RNA)
where:
Base-Base interactions energy: -793.246
where: short stacking energy: -346.772
Base-Backbone interact. energy: 2.589
local terms energy: -390.876688
where:
bonds (distance) C4'-P energy: -74.750
bonds (distance) P-C4' energy: -87.361
flat angles C4'-P-C4' energy: -74.039
flat angles P-C4'-P energy: -50.970
tors. eta vs tors. theta energy: -103.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1043.728670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.728670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.728670 (E_RNA)
where:
Base-Base interactions energy: -712.527
where: short stacking energy: -314.811
Base-Backbone interact. energy: 0.345
local terms energy: -331.546525
where:
bonds (distance) C4'-P energy: -44.949
bonds (distance) P-C4' energy: -74.165
flat angles C4'-P-C4' energy: -77.653
flat angles P-C4'-P energy: -54.651
tors. eta vs tors. theta energy: -80.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -862.359197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.359197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.359197 (E_RNA)
where:
Base-Base interactions energy: -529.730
where: short stacking energy: -231.381
Base-Backbone interact. energy: -0.726
local terms energy: -331.903231
where:
bonds (distance) C4'-P energy: -65.153
bonds (distance) P-C4' energy: -74.370
flat angles C4'-P-C4' energy: -83.476
flat angles P-C4'-P energy: -48.419
tors. eta vs tors. theta energy: -60.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -806.772273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.772273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.772273 (E_RNA)
where:
Base-Base interactions energy: -520.688
where: short stacking energy: -227.605
Base-Backbone interact. energy: -0.934
local terms energy: -285.150617
where:
bonds (distance) C4'-P energy: -60.248
bonds (distance) P-C4' energy: -69.745
flat angles C4'-P-C4' energy: -75.389
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: -54.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -575.541435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.541435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.541435 (E_RNA)
where:
Base-Base interactions energy: -301.254
where: short stacking energy: -161.244
Base-Backbone interact. energy: 1.283
local terms energy: -275.570644
where:
bonds (distance) C4'-P energy: -60.496
bonds (distance) P-C4' energy: -73.325
flat angles C4'-P-C4' energy: -66.127
flat angles P-C4'-P energy: -42.123
tors. eta vs tors. theta energy: -33.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -452.727776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.727776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.727776 (E_RNA)
where:
Base-Base interactions energy: -227.056
where: short stacking energy: -152.227
Base-Backbone interact. energy: -0.668
local terms energy: -225.003717
where:
bonds (distance) C4'-P energy: -57.777
bonds (distance) P-C4' energy: -62.972
flat angles C4'-P-C4' energy: -60.741
flat angles P-C4'-P energy: -29.058
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -328.274498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.274498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.274498 (E_RNA)
where:
Base-Base interactions energy: -112.177
where: short stacking energy: -99.228
Base-Backbone interact. energy: -1.892
local terms energy: -214.205270
where:
bonds (distance) C4'-P energy: -67.257
bonds (distance) P-C4' energy: -61.581
flat angles C4'-P-C4' energy: -53.984
flat angles P-C4'-P energy: -32.937
tors. eta vs tors. theta energy: 1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1389.447935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.447935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.447935 (E_RNA)
where:
Base-Base interactions energy: -966.516
where: short stacking energy: -376.593
Base-Backbone interact. energy: -0.950
local terms energy: -421.981298
where:
bonds (distance) C4'-P energy: -73.049
bonds (distance) P-C4' energy: -90.241
flat angles C4'-P-C4' energy: -93.085
flat angles P-C4'-P energy: -58.953
tors. eta vs tors. theta energy: -106.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1369.096744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.096744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.096744 (E_RNA)
where:
Base-Base interactions energy: -938.339
where: short stacking energy: -381.618
Base-Backbone interact. energy: -1.780
local terms energy: -428.978097
where:
bonds (distance) C4'-P energy: -84.976
bonds (distance) P-C4' energy: -75.268
flat angles C4'-P-C4' energy: -88.910
flat angles P-C4'-P energy: -60.599
tors. eta vs tors. theta energy: -119.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1348.936293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.936293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.936293 (E_RNA)
where:
Base-Base interactions energy: -921.098
where: short stacking energy: -383.855
Base-Backbone interact. energy: 0.712
local terms energy: -428.549734
where:
bonds (distance) C4'-P energy: -86.320
bonds (distance) P-C4' energy: -81.783
flat angles C4'-P-C4' energy: -86.531
flat angles P-C4'-P energy: -46.069
tors. eta vs tors. theta energy: -127.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1148.548098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.548098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.548098 (E_RNA)
where:
Base-Base interactions energy: -776.582
where: short stacking energy: -339.422
Base-Backbone interact. energy: 0.849
local terms energy: -372.815216
where:
bonds (distance) C4'-P energy: -74.538
bonds (distance) P-C4' energy: -72.013
flat angles C4'-P-C4' energy: -82.024
flat angles P-C4'-P energy: -48.360
tors. eta vs tors. theta energy: -95.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1080.776157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.776157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.776157 (E_RNA)
where:
Base-Base interactions energy: -714.198
where: short stacking energy: -309.194
Base-Backbone interact. energy: -3.435
local terms energy: -363.142933
where:
bonds (distance) C4'-P energy: -65.736
bonds (distance) P-C4' energy: -78.417
flat angles C4'-P-C4' energy: -82.962
flat angles P-C4'-P energy: -56.164
tors. eta vs tors. theta energy: -79.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -871.540972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.540972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.540972 (E_RNA)
where:
Base-Base interactions energy: -542.003
where: short stacking energy: -264.832
Base-Backbone interact. energy: 4.716
local terms energy: -334.253957
where:
bonds (distance) C4'-P energy: -70.101
bonds (distance) P-C4' energy: -73.795
flat angles C4'-P-C4' energy: -79.233
flat angles P-C4'-P energy: -55.351
tors. eta vs tors. theta energy: -55.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -767.869635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.869635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.869635 (E_RNA)
where:
Base-Base interactions energy: -449.972
where: short stacking energy: -190.087
Base-Backbone interact. energy: -1.924
local terms energy: -315.973179
where:
bonds (distance) C4'-P energy: -74.849
bonds (distance) P-C4' energy: -71.873
flat angles C4'-P-C4' energy: -67.806
flat angles P-C4'-P energy: -45.204
tors. eta vs tors. theta energy: -56.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -610.827309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.827309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.827309 (E_RNA)
where:
Base-Base interactions energy: -344.084
where: short stacking energy: -201.082
Base-Backbone interact. energy: 0.105
local terms energy: -266.847802
where:
bonds (distance) C4'-P energy: -76.545
bonds (distance) P-C4' energy: -68.024
flat angles C4'-P-C4' energy: -54.575
flat angles P-C4'-P energy: -31.205
tors. eta vs tors. theta energy: -36.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -441.568642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.568642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.568642 (E_RNA)
where:
Base-Base interactions energy: -189.185
where: short stacking energy: -120.506
Base-Backbone interact. energy: -0.618
local terms energy: -251.766166
where:
bonds (distance) C4'-P energy: -75.156
bonds (distance) P-C4' energy: -67.349
flat angles C4'-P-C4' energy: -67.962
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -312.477944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.477944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.477944 (E_RNA)
where:
Base-Base interactions energy: -113.762
where: short stacking energy: -73.542
Base-Backbone interact. energy: -0.476
local terms energy: -198.240818
where:
bonds (distance) C4'-P energy: -62.895
bonds (distance) P-C4' energy: -78.027
flat angles C4'-P-C4' energy: -32.262
flat angles P-C4'-P energy: -36.421
tors. eta vs tors. theta energy: 11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1386.787825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.787825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.787825 (E_RNA)
where:
Base-Base interactions energy: -948.978
where: short stacking energy: -388.106
Base-Backbone interact. energy: -0.512
local terms energy: -437.297791
where:
bonds (distance) C4'-P energy: -88.004
bonds (distance) P-C4' energy: -85.686
flat angles C4'-P-C4' energy: -95.219
flat angles P-C4'-P energy: -50.805
tors. eta vs tors. theta energy: -117.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1395.983904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.983904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.983904 (E_RNA)
where:
Base-Base interactions energy: -954.051
where: short stacking energy: -395.864
Base-Backbone interact. energy: -1.587
local terms energy: -440.346191
where:
bonds (distance) C4'-P energy: -78.611
bonds (distance) P-C4' energy: -84.284
flat angles C4'-P-C4' energy: -87.167
flat angles P-C4'-P energy: -61.650
tors. eta vs tors. theta energy: -128.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1290.936764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.936764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.936764 (E_RNA)
where:
Base-Base interactions energy: -885.652
where: short stacking energy: -381.842
Base-Backbone interact. energy: -1.206
local terms energy: -404.078821
where:
bonds (distance) C4'-P energy: -71.203
bonds (distance) P-C4' energy: -70.921
flat angles C4'-P-C4' energy: -85.936
flat angles P-C4'-P energy: -58.888
tors. eta vs tors. theta energy: -117.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1160.522784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.522784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.522784 (E_RNA)
where:
Base-Base interactions energy: -800.605
where: short stacking energy: -329.162
Base-Backbone interact. energy: 7.556
local terms energy: -367.473976
where:
bonds (distance) C4'-P energy: -78.639
bonds (distance) P-C4' energy: -62.949
flat angles C4'-P-C4' energy: -93.056
flat angles P-C4'-P energy: -49.101
tors. eta vs tors. theta energy: -83.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1115.899615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.899615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.899615 (E_RNA)
where:
Base-Base interactions energy: -757.704
where: short stacking energy: -316.897
Base-Backbone interact. energy: -1.389
local terms energy: -356.807379
where:
bonds (distance) C4'-P energy: -78.757
bonds (distance) P-C4' energy: -67.859
flat angles C4'-P-C4' energy: -80.574
flat angles P-C4'-P energy: -40.086
tors. eta vs tors. theta energy: -89.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -900.160819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.160819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.160819 (E_RNA)
where:
Base-Base interactions energy: -556.269
where: short stacking energy: -254.558
Base-Backbone interact. energy: 0.266
local terms energy: -344.157526
where:
bonds (distance) C4'-P energy: -67.312
bonds (distance) P-C4' energy: -78.014
flat angles C4'-P-C4' energy: -83.595
flat angles P-C4'-P energy: -49.103
tors. eta vs tors. theta energy: -66.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -777.715359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.715359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.715359 (E_RNA)
where:
Base-Base interactions energy: -453.377
where: short stacking energy: -209.263
Base-Backbone interact. energy: -0.986
local terms energy: -323.352877
where:
bonds (distance) C4'-P energy: -58.467
bonds (distance) P-C4' energy: -75.457
flat angles C4'-P-C4' energy: -79.150
flat angles P-C4'-P energy: -57.453
tors. eta vs tors. theta energy: -52.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -607.325291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.325291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.325291 (E_RNA)
where:
Base-Base interactions energy: -337.947
where: short stacking energy: -180.774
Base-Backbone interact. energy: -1.292
local terms energy: -268.086268
where:
bonds (distance) C4'-P energy: -71.787
bonds (distance) P-C4' energy: -69.253
flat angles C4'-P-C4' energy: -59.017
flat angles P-C4'-P energy: -35.781
tors. eta vs tors. theta energy: -32.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -435.864423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.864423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.864423 (E_RNA)
where:
Base-Base interactions energy: -213.654
where: short stacking energy: -136.796
Base-Backbone interact. energy: -0.946
local terms energy: -221.264611
where:
bonds (distance) C4'-P energy: -64.277
bonds (distance) P-C4' energy: -71.437
flat angles C4'-P-C4' energy: -46.163
flat angles P-C4'-P energy: -31.348
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -324.584152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.584152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.584152 (E_RNA)
where:
Base-Base interactions energy: -126.916
where: short stacking energy: -80.188
Base-Backbone interact. energy: 1.068
local terms energy: -198.735975
where:
bonds (distance) C4'-P energy: -78.528
bonds (distance) P-C4' energy: -55.677
flat angles C4'-P-C4' energy: -43.161
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: 14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1428.111198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.111198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.111198 (E_RNA)
where:
Base-Base interactions energy: -983.241
where: short stacking energy: -415.250
Base-Backbone interact. energy: -0.695
local terms energy: -444.175174
where:
bonds (distance) C4'-P energy: -73.443
bonds (distance) P-C4' energy: -78.698
flat angles C4'-P-C4' energy: -99.094
flat angles P-C4'-P energy: -62.974
tors. eta vs tors. theta energy: -129.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1359.029312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.029312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.029312 (E_RNA)
where:
Base-Base interactions energy: -942.998
where: short stacking energy: -395.068
Base-Backbone interact. energy: 2.998
local terms energy: -419.029457
where:
bonds (distance) C4'-P energy: -76.378
bonds (distance) P-C4' energy: -81.822
flat angles C4'-P-C4' energy: -88.168
flat angles P-C4'-P energy: -56.157
tors. eta vs tors. theta energy: -116.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1283.577428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.577428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.577428 (E_RNA)
where:
Base-Base interactions energy: -885.006
where: short stacking energy: -385.242
Base-Backbone interact. energy: -0.081
local terms energy: -398.489856
where:
bonds (distance) C4'-P energy: -63.260
bonds (distance) P-C4' energy: -78.342
flat angles C4'-P-C4' energy: -86.410
flat angles P-C4'-P energy: -52.122
tors. eta vs tors. theta energy: -118.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1135.410446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.410446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.410446 (E_RNA)
where:
Base-Base interactions energy: -773.513
where: short stacking energy: -326.968
Base-Backbone interact. energy: -1.393
local terms energy: -360.504693
where:
bonds (distance) C4'-P energy: -73.348
bonds (distance) P-C4' energy: -72.955
flat angles C4'-P-C4' energy: -82.960
flat angles P-C4'-P energy: -39.450
tors. eta vs tors. theta energy: -91.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1117.760658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.760658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.760658 (E_RNA)
where:
Base-Base interactions energy: -765.361
where: short stacking energy: -330.090
Base-Backbone interact. energy: -1.069
local terms energy: -351.330978
where:
bonds (distance) C4'-P energy: -61.827
bonds (distance) P-C4' energy: -67.358
flat angles C4'-P-C4' energy: -75.129
flat angles P-C4'-P energy: -52.323
tors. eta vs tors. theta energy: -94.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -907.606336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.606336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.606336 (E_RNA)
where:
Base-Base interactions energy: -595.167
where: short stacking energy: -257.056
Base-Backbone interact. energy: -2.696
local terms energy: -309.744148
where:
bonds (distance) C4'-P energy: -73.064
bonds (distance) P-C4' energy: -64.710
flat angles C4'-P-C4' energy: -67.335
flat angles P-C4'-P energy: -44.689
tors. eta vs tors. theta energy: -59.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -741.550396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.550396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.550396 (E_RNA)
where:
Base-Base interactions energy: -443.635
where: short stacking energy: -194.649
Base-Backbone interact. energy: -3.087
local terms energy: -294.827740
where:
bonds (distance) C4'-P energy: -58.887
bonds (distance) P-C4' energy: -73.226
flat angles C4'-P-C4' energy: -68.228
flat angles P-C4'-P energy: -51.331
tors. eta vs tors. theta energy: -43.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -603.647552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.647552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.647552 (E_RNA)
where:
Base-Base interactions energy: -323.496
where: short stacking energy: -170.544
Base-Backbone interact. energy: -2.168
local terms energy: -277.983286
where:
bonds (distance) C4'-P energy: -69.975
bonds (distance) P-C4' energy: -75.318
flat angles C4'-P-C4' energy: -62.130
flat angles P-C4'-P energy: -40.637
tors. eta vs tors. theta energy: -29.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -411.446577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.446577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.446577 (E_RNA)
where:
Base-Base interactions energy: -193.238
where: short stacking energy: -110.882
Base-Backbone interact. energy: 0.015
local terms energy: -218.223735
where:
bonds (distance) C4'-P energy: -71.440
bonds (distance) P-C4' energy: -71.824
flat angles C4'-P-C4' energy: -54.192
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: 1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -320.204621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.204621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.204621 (E_RNA)
where:
Base-Base interactions energy: -94.292
where: short stacking energy: -77.534
Base-Backbone interact. energy: -0.456
local terms energy: -225.456622
where:
bonds (distance) C4'-P energy: -76.886
bonds (distance) P-C4' energy: -71.749
flat angles C4'-P-C4' energy: -57.912
flat angles P-C4'-P energy: -36.478
tors. eta vs tors. theta energy: 17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1428.122918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.122918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.122918 (E_RNA)
where:
Base-Base interactions energy: -999.167
where: short stacking energy: -418.483
Base-Backbone interact. energy: 0.517
local terms energy: -429.473478
where:
bonds (distance) C4'-P energy: -83.002
bonds (distance) P-C4' energy: -75.988
flat angles C4'-P-C4' energy: -89.053
flat angles P-C4'-P energy: -53.964
tors. eta vs tors. theta energy: -127.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1342.951988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.951988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.951988 (E_RNA)
where:
Base-Base interactions energy: -934.859
where: short stacking energy: -390.745
Base-Backbone interact. energy: 0.721
local terms energy: -408.813155
where:
bonds (distance) C4'-P energy: -79.268
bonds (distance) P-C4' energy: -73.287
flat angles C4'-P-C4' energy: -79.779
flat angles P-C4'-P energy: -60.215
tors. eta vs tors. theta energy: -116.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1268.805787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.805787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.805787 (E_RNA)
where:
Base-Base interactions energy: -864.395
where: short stacking energy: -357.792
Base-Backbone interact. energy: -0.590
local terms energy: -403.820461
where:
bonds (distance) C4'-P energy: -72.640
bonds (distance) P-C4' energy: -78.289
flat angles C4'-P-C4' energy: -92.036
flat angles P-C4'-P energy: -48.796
tors. eta vs tors. theta energy: -112.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1168.350662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.350662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.350662 (E_RNA)
where:
Base-Base interactions energy: -767.373
where: short stacking energy: -331.175
Base-Backbone interact. energy: -1.033
local terms energy: -399.945075
where:
bonds (distance) C4'-P energy: -75.229
bonds (distance) P-C4' energy: -85.514
flat angles C4'-P-C4' energy: -86.099
flat angles P-C4'-P energy: -52.489
tors. eta vs tors. theta energy: -100.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1138.731727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.731727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.731727 (E_RNA)
where:
Base-Base interactions energy: -788.100
where: short stacking energy: -323.089
Base-Backbone interact. energy: -2.138
local terms energy: -348.494201
where:
bonds (distance) C4'-P energy: -73.421
bonds (distance) P-C4' energy: -67.090
flat angles C4'-P-C4' energy: -79.530
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -96.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -867.307418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.307418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.307418 (E_RNA)
where:
Base-Base interactions energy: -541.452
where: short stacking energy: -233.303
Base-Backbone interact. energy: 0.833
local terms energy: -326.688113
where:
bonds (distance) C4'-P energy: -60.000
bonds (distance) P-C4' energy: -87.473
flat angles C4'-P-C4' energy: -75.324
flat angles P-C4'-P energy: -47.027
tors. eta vs tors. theta energy: -56.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -771.819178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.819178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.819178 (E_RNA)
where:
Base-Base interactions energy: -482.030
where: short stacking energy: -209.548
Base-Backbone interact. energy: 0.654
local terms energy: -290.443556
where:
bonds (distance) C4'-P energy: -68.670
bonds (distance) P-C4' energy: -69.719
flat angles C4'-P-C4' energy: -61.113
flat angles P-C4'-P energy: -53.781
tors. eta vs tors. theta energy: -37.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -580.638013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.638013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.638013 (E_RNA)
where:
Base-Base interactions energy: -302.861
where: short stacking energy: -161.183
Base-Backbone interact. energy: -0.454
local terms energy: -277.323351
where:
bonds (distance) C4'-P energy: -65.360
bonds (distance) P-C4' energy: -79.040
flat angles C4'-P-C4' energy: -69.938
flat angles P-C4'-P energy: -26.387
tors. eta vs tors. theta energy: -36.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -413.496291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.496291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.496291 (E_RNA)
where:
Base-Base interactions energy: -185.740
where: short stacking energy: -109.577
Base-Backbone interact. energy: -1.551
local terms energy: -226.205302
where:
bonds (distance) C4'-P energy: -64.111
bonds (distance) P-C4' energy: -68.872
flat angles C4'-P-C4' energy: -57.099
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: 6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -296.786829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.786829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.786829 (E_RNA)
where:
Base-Base interactions energy: -79.736
where: short stacking energy: -58.239
Base-Backbone interact. energy: 3.939
local terms energy: -220.989832
where:
bonds (distance) C4'-P energy: -69.607
bonds (distance) P-C4' energy: -64.795
flat angles C4'-P-C4' energy: -58.643
flat angles P-C4'-P energy: -41.842
tors. eta vs tors. theta energy: 13.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1444.725277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.725277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.725277 (E_RNA)
where:
Base-Base interactions energy: -1008.564
where: short stacking energy: -410.437
Base-Backbone interact. energy: -1.823
local terms energy: -434.337597
where:
bonds (distance) C4'-P energy: -79.871
bonds (distance) P-C4' energy: -72.367
flat angles C4'-P-C4' energy: -90.416
flat angles P-C4'-P energy: -66.496
tors. eta vs tors. theta energy: -125.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1330.055038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.055038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.055038 (E_RNA)
where:
Base-Base interactions energy: -915.854
where: short stacking energy: -354.312
Base-Backbone interact. energy: -1.840
local terms energy: -412.360910
where:
bonds (distance) C4'-P energy: -78.862
bonds (distance) P-C4' energy: -82.519
flat angles C4'-P-C4' energy: -89.621
flat angles P-C4'-P energy: -56.944
tors. eta vs tors. theta energy: -104.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1268.427273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.427273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.427273 (E_RNA)
where:
Base-Base interactions energy: -860.819
where: short stacking energy: -381.815
Base-Backbone interact. energy: -4.490
local terms energy: -403.118244
where:
bonds (distance) C4'-P energy: -63.906
bonds (distance) P-C4' energy: -67.339
flat angles C4'-P-C4' energy: -84.302
flat angles P-C4'-P energy: -67.723
tors. eta vs tors. theta energy: -119.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1174.093178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.093178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.093178 (E_RNA)
where:
Base-Base interactions energy: -810.191
where: short stacking energy: -321.486
Base-Backbone interact. energy: -1.503
local terms energy: -362.399179
where:
bonds (distance) C4'-P energy: -75.546
bonds (distance) P-C4' energy: -64.765
flat angles C4'-P-C4' energy: -76.936
flat angles P-C4'-P energy: -50.294
tors. eta vs tors. theta energy: -94.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1046.997528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.997528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.997528 (E_RNA)
where:
Base-Base interactions energy: -717.598
where: short stacking energy: -288.572
Base-Backbone interact. energy: -1.492
local terms energy: -327.907119
where:
bonds (distance) C4'-P energy: -67.518
bonds (distance) P-C4' energy: -78.851
flat angles C4'-P-C4' energy: -66.064
flat angles P-C4'-P energy: -45.847
tors. eta vs tors. theta energy: -69.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -876.354249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.354249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.354249 (E_RNA)
where:
Base-Base interactions energy: -542.487
where: short stacking energy: -250.816
Base-Backbone interact. energy: -0.710
local terms energy: -333.157274
where:
bonds (distance) C4'-P energy: -74.166
bonds (distance) P-C4' energy: -74.713
flat angles C4'-P-C4' energy: -83.389
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: -58.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -785.195076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.195076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.195076 (E_RNA)
where:
Base-Base interactions energy: -477.369
where: short stacking energy: -223.592
Base-Backbone interact. energy: 0.312
local terms energy: -308.138534
where:
bonds (distance) C4'-P energy: -71.149
bonds (distance) P-C4' energy: -70.223
flat angles C4'-P-C4' energy: -82.546
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: -54.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -607.406621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.406621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.406621 (E_RNA)
where:
Base-Base interactions energy: -304.708
where: short stacking energy: -158.520
Base-Backbone interact. energy: -0.237
local terms energy: -302.461273
where:
bonds (distance) C4'-P energy: -69.700
bonds (distance) P-C4' energy: -78.524
flat angles C4'-P-C4' energy: -69.577
flat angles P-C4'-P energy: -51.516
tors. eta vs tors. theta energy: -33.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -368.025034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.025034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.025034 (E_RNA)
where:
Base-Base interactions energy: -159.123
where: short stacking energy: -106.030
Base-Backbone interact. energy: -0.977
local terms energy: -207.924944
where:
bonds (distance) C4'-P energy: -51.068
bonds (distance) P-C4' energy: -69.654
flat angles C4'-P-C4' energy: -63.897
flat angles P-C4'-P energy: -29.219
tors. eta vs tors. theta energy: 5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -327.249736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.249736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.249736 (E_RNA)
where:
Base-Base interactions energy: -132.811
where: short stacking energy: -105.958
Base-Backbone interact. energy: -2.394
local terms energy: -192.044214
where:
bonds (distance) C4'-P energy: -38.850
bonds (distance) P-C4' energy: -65.586
flat angles C4'-P-C4' energy: -51.437
flat angles P-C4'-P energy: -38.648
tors. eta vs tors. theta energy: 2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1415.664149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.664149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.664149 (E_RNA)
where:
Base-Base interactions energy: -985.300
where: short stacking energy: -399.901
Base-Backbone interact. energy: -2.435
local terms energy: -427.928763
where:
bonds (distance) C4'-P energy: -75.497
bonds (distance) P-C4' energy: -81.450
flat angles C4'-P-C4' energy: -92.388
flat angles P-C4'-P energy: -53.742
tors. eta vs tors. theta energy: -124.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1354.358106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.358106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.358106 (E_RNA)
where:
Base-Base interactions energy: -932.595
where: short stacking energy: -371.665
Base-Backbone interact. energy: -2.913
local terms energy: -418.849813
where:
bonds (distance) C4'-P energy: -66.307
bonds (distance) P-C4' energy: -76.923
flat angles C4'-P-C4' energy: -96.149
flat angles P-C4'-P energy: -61.045
tors. eta vs tors. theta energy: -118.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1281.742802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.742802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.742802 (E_RNA)
where:
Base-Base interactions energy: -871.900
where: short stacking energy: -358.594
Base-Backbone interact. energy: -4.024
local terms energy: -405.818653
where:
bonds (distance) C4'-P energy: -73.581
bonds (distance) P-C4' energy: -84.206
flat angles C4'-P-C4' energy: -83.562
flat angles P-C4'-P energy: -50.774
tors. eta vs tors. theta energy: -113.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1181.067540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.067540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.067540 (E_RNA)
where:
Base-Base interactions energy: -811.086
where: short stacking energy: -340.303
Base-Backbone interact. energy: 3.542
local terms energy: -373.523374
where:
bonds (distance) C4'-P energy: -73.773
bonds (distance) P-C4' energy: -67.726
flat angles C4'-P-C4' energy: -86.836
flat angles P-C4'-P energy: -48.081
tors. eta vs tors. theta energy: -97.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1080.230488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.230488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.230488 (E_RNA)
where:
Base-Base interactions energy: -716.621
where: short stacking energy: -291.732
Base-Backbone interact. energy: -2.776
local terms energy: -360.833130
where:
bonds (distance) C4'-P energy: -80.444
bonds (distance) P-C4' energy: -71.343
flat angles C4'-P-C4' energy: -82.067
flat angles P-C4'-P energy: -47.426
tors. eta vs tors. theta energy: -79.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -891.076049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.076049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.076049 (E_RNA)
where:
Base-Base interactions energy: -557.618
where: short stacking energy: -236.011
Base-Backbone interact. energy: -1.230
local terms energy: -332.227335
where:
bonds (distance) C4'-P energy: -67.341
bonds (distance) P-C4' energy: -76.296
flat angles C4'-P-C4' energy: -65.261
flat angles P-C4'-P energy: -54.452
tors. eta vs tors. theta energy: -68.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -766.308752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.308752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.308752 (E_RNA)
where:
Base-Base interactions energy: -471.397
where: short stacking energy: -212.172
Base-Backbone interact. energy: 2.515
local terms energy: -297.426599
where:
bonds (distance) C4'-P energy: -71.296
bonds (distance) P-C4' energy: -72.741
flat angles C4'-P-C4' energy: -69.116
flat angles P-C4'-P energy: -48.872
tors. eta vs tors. theta energy: -35.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -622.466279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.466279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.466279 (E_RNA)
where:
Base-Base interactions energy: -351.343
where: short stacking energy: -184.480
Base-Backbone interact. energy: -1.229
local terms energy: -269.893837
where:
bonds (distance) C4'-P energy: -63.475
bonds (distance) P-C4' energy: -69.474
flat angles C4'-P-C4' energy: -64.127
flat angles P-C4'-P energy: -38.138
tors. eta vs tors. theta energy: -34.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -341.366417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.366417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.366417 (E_RNA)
where:
Base-Base interactions energy: -137.948
where: short stacking energy: -117.193
Base-Backbone interact. energy: -1.607
local terms energy: -201.811431
where:
bonds (distance) C4'-P energy: -50.143
bonds (distance) P-C4' energy: -62.373
flat angles C4'-P-C4' energy: -63.249
flat angles P-C4'-P energy: -28.889
tors. eta vs tors. theta energy: 2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -293.841323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.841323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.841323 (E_RNA)
where:
Base-Base interactions energy: -83.141
where: short stacking energy: -67.057
Base-Backbone interact. energy: -0.619
local terms energy: -210.081768
where:
bonds (distance) C4'-P energy: -75.761
bonds (distance) P-C4' energy: -61.522
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -26.931
tors. eta vs tors. theta energy: 15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1419.214332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.214332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.214332 (E_RNA)
where:
Base-Base interactions energy: -961.076
where: short stacking energy: -401.759
Base-Backbone interact. energy: -2.138
local terms energy: -456.000328
where:
bonds (distance) C4'-P energy: -84.676
bonds (distance) P-C4' energy: -88.733
flat angles C4'-P-C4' energy: -94.308
flat angles P-C4'-P energy: -61.882
tors. eta vs tors. theta energy: -126.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1360.767924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.767924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.767924 (E_RNA)
where:
Base-Base interactions energy: -942.109
where: short stacking energy: -363.674
Base-Backbone interact. energy: -0.444
local terms energy: -418.214569
where:
bonds (distance) C4'-P energy: -74.264
bonds (distance) P-C4' energy: -83.714
flat angles C4'-P-C4' energy: -89.029
flat angles P-C4'-P energy: -61.123
tors. eta vs tors. theta energy: -110.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1311.572209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.572209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.572209 (E_RNA)
where:
Base-Base interactions energy: -898.608
where: short stacking energy: -366.366
Base-Backbone interact. energy: -2.283
local terms energy: -410.681729
where:
bonds (distance) C4'-P energy: -82.538
bonds (distance) P-C4' energy: -68.628
flat angles C4'-P-C4' energy: -84.866
flat angles P-C4'-P energy: -62.901
tors. eta vs tors. theta energy: -111.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1190.337496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.337496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.337496 (E_RNA)
where:
Base-Base interactions energy: -810.716
where: short stacking energy: -348.409
Base-Backbone interact. energy: -0.958
local terms energy: -378.663711
where:
bonds (distance) C4'-P energy: -77.425
bonds (distance) P-C4' energy: -80.643
flat angles C4'-P-C4' energy: -84.820
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -89.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1082.460043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.460043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.460043 (E_RNA)
where:
Base-Base interactions energy: -723.054
where: short stacking energy: -293.856
Base-Backbone interact. energy: -1.814
local terms energy: -357.592134
where:
bonds (distance) C4'-P energy: -73.682
bonds (distance) P-C4' energy: -76.984
flat angles C4'-P-C4' energy: -69.670
flat angles P-C4'-P energy: -59.516
tors. eta vs tors. theta energy: -77.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -902.986616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.986616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.986616 (E_RNA)
where:
Base-Base interactions energy: -574.795
where: short stacking energy: -237.240
Base-Backbone interact. energy: -0.662
local terms energy: -327.530181
where:
bonds (distance) C4'-P energy: -81.085
bonds (distance) P-C4' energy: -72.362
flat angles C4'-P-C4' energy: -78.193
flat angles P-C4'-P energy: -43.329
tors. eta vs tors. theta energy: -52.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -776.898806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.898806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.898806 (E_RNA)
where:
Base-Base interactions energy: -498.002
where: short stacking energy: -239.576
Base-Backbone interact. energy: 3.252
local terms energy: -282.148893
where:
bonds (distance) C4'-P energy: -56.838
bonds (distance) P-C4' energy: -56.962
flat angles C4'-P-C4' energy: -64.880
flat angles P-C4'-P energy: -55.816
tors. eta vs tors. theta energy: -47.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -531.456009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.456009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.456009 (E_RNA)
where:
Base-Base interactions energy: -280.061
where: short stacking energy: -144.683
Base-Backbone interact. energy: -1.745
local terms energy: -249.649797
where:
bonds (distance) C4'-P energy: -52.677
bonds (distance) P-C4' energy: -67.873
flat angles C4'-P-C4' energy: -61.756
flat angles P-C4'-P energy: -49.664
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -343.196318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.196318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.196318 (E_RNA)
where:
Base-Base interactions energy: -94.270
where: short stacking energy: -90.756
Base-Backbone interact. energy: 0.571
local terms energy: -249.497130
where:
bonds (distance) C4'-P energy: -71.136
bonds (distance) P-C4' energy: -75.942
flat angles C4'-P-C4' energy: -61.878
flat angles P-C4'-P energy: -40.773
tors. eta vs tors. theta energy: 0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -328.602750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.602750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.602750 (E_RNA)
where:
Base-Base interactions energy: -111.566
where: short stacking energy: -85.850
Base-Backbone interact. energy: 2.969
local terms energy: -220.005299
where:
bonds (distance) C4'-P energy: -67.101
bonds (distance) P-C4' energy: -68.294
flat angles C4'-P-C4' energy: -60.067
flat angles P-C4'-P energy: -31.146
tors. eta vs tors. theta energy: 6.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1420.506717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.506717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.506717 (E_RNA)
where:
Base-Base interactions energy: -984.343
where: short stacking energy: -401.108
Base-Backbone interact. energy: 4.635
local terms energy: -440.798340
where:
bonds (distance) C4'-P energy: -80.217
bonds (distance) P-C4' energy: -72.164
flat angles C4'-P-C4' energy: -90.988
flat angles P-C4'-P energy: -67.142
tors. eta vs tors. theta energy: -130.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1356.684971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.684971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.684971 (E_RNA)
where:
Base-Base interactions energy: -952.267
where: short stacking energy: -365.636
Base-Backbone interact. energy: -1.382
local terms energy: -403.036341
where:
bonds (distance) C4'-P energy: -66.344
bonds (distance) P-C4' energy: -79.285
flat angles C4'-P-C4' energy: -88.767
flat angles P-C4'-P energy: -63.220
tors. eta vs tors. theta energy: -105.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1301.887240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.887240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.887240 (E_RNA)
where:
Base-Base interactions energy: -876.882
where: short stacking energy: -358.054
Base-Backbone interact. energy: -0.998
local terms energy: -424.007697
where:
bonds (distance) C4'-P energy: -81.810
bonds (distance) P-C4' energy: -78.543
flat angles C4'-P-C4' energy: -82.538
flat angles P-C4'-P energy: -65.436
tors. eta vs tors. theta energy: -115.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1182.731943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.731943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.731943 (E_RNA)
where:
Base-Base interactions energy: -789.987
where: short stacking energy: -349.265
Base-Backbone interact. energy: -1.291
local terms energy: -391.454578
where:
bonds (distance) C4'-P energy: -68.021
bonds (distance) P-C4' energy: -76.877
flat angles C4'-P-C4' energy: -79.061
flat angles P-C4'-P energy: -55.659
tors. eta vs tors. theta energy: -111.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1120.685399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.685399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.685399 (E_RNA)
where:
Base-Base interactions energy: -763.672
where: short stacking energy: -314.359
Base-Backbone interact. energy: -1.161
local terms energy: -355.852046
where:
bonds (distance) C4'-P energy: -72.296
bonds (distance) P-C4' energy: -80.156
flat angles C4'-P-C4' energy: -69.585
flat angles P-C4'-P energy: -51.580
tors. eta vs tors. theta energy: -82.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -872.470074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.470074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.470074 (E_RNA)
where:
Base-Base interactions energy: -564.119
where: short stacking energy: -225.875
Base-Backbone interact. energy: -2.869
local terms energy: -305.481952
where:
bonds (distance) C4'-P energy: -63.950
bonds (distance) P-C4' energy: -74.458
flat angles C4'-P-C4' energy: -68.805
flat angles P-C4'-P energy: -43.287
tors. eta vs tors. theta energy: -54.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -770.478363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.478363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.478363 (E_RNA)
where:
Base-Base interactions energy: -494.068
where: short stacking energy: -213.337
Base-Backbone interact. energy: -1.006
local terms energy: -275.404343
where:
bonds (distance) C4'-P energy: -67.823
bonds (distance) P-C4' energy: -80.458
flat angles C4'-P-C4' energy: -51.573
flat angles P-C4'-P energy: -43.269
tors. eta vs tors. theta energy: -32.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -560.028736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.028736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.028736 (E_RNA)
where:
Base-Base interactions energy: -297.396
where: short stacking energy: -129.982
Base-Backbone interact. energy: 0.359
local terms energy: -262.992184
where:
bonds (distance) C4'-P energy: -70.384
bonds (distance) P-C4' energy: -80.147
flat angles C4'-P-C4' energy: -75.046
flat angles P-C4'-P energy: -31.014
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -339.492813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.492813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.492813 (E_RNA)
where:
Base-Base interactions energy: -122.759
where: short stacking energy: -91.278
Base-Backbone interact. energy: -0.468
local terms energy: -216.266630
where:
bonds (distance) C4'-P energy: -56.826
bonds (distance) P-C4' energy: -61.104
flat angles C4'-P-C4' energy: -74.038
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: 10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -328.161523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.161523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.161523 (E_RNA)
where:
Base-Base interactions energy: -114.604
where: short stacking energy: -78.035
Base-Backbone interact. energy: -0.498
local terms energy: -213.059309
where:
bonds (distance) C4'-P energy: -73.522
bonds (distance) P-C4' energy: -55.637
flat angles C4'-P-C4' energy: -57.501
flat angles P-C4'-P energy: -31.906
tors. eta vs tors. theta energy: 5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1418.100376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.100376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.100376 (E_RNA)
where:
Base-Base interactions energy: -980.012
where: short stacking energy: -395.295
Base-Backbone interact. energy: -1.512
local terms energy: -436.576355
where:
bonds (distance) C4'-P energy: -74.402
bonds (distance) P-C4' energy: -87.182
flat angles C4'-P-C4' energy: -90.315
flat angles P-C4'-P energy: -60.487
tors. eta vs tors. theta energy: -124.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1346.362920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.362920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.362920 (E_RNA)
where:
Base-Base interactions energy: -944.700
where: short stacking energy: -380.440
Base-Backbone interact. energy: -0.016
local terms energy: -401.647440
where:
bonds (distance) C4'-P energy: -80.897
bonds (distance) P-C4' energy: -65.151
flat angles C4'-P-C4' energy: -87.589
flat angles P-C4'-P energy: -52.896
tors. eta vs tors. theta energy: -115.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1255.127867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.127867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.127867 (E_RNA)
where:
Base-Base interactions energy: -863.110
where: short stacking energy: -356.932
Base-Backbone interact. energy: -1.746
local terms energy: -390.271796
where:
bonds (distance) C4'-P energy: -59.378
bonds (distance) P-C4' energy: -80.832
flat angles C4'-P-C4' energy: -85.679
flat angles P-C4'-P energy: -57.577
tors. eta vs tors. theta energy: -106.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1173.682736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.682736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.682736 (E_RNA)
where:
Base-Base interactions energy: -798.841
where: short stacking energy: -349.240
Base-Backbone interact. energy: -0.847
local terms energy: -373.994169
where:
bonds (distance) C4'-P energy: -73.498
bonds (distance) P-C4' energy: -58.364
flat angles C4'-P-C4' energy: -82.979
flat angles P-C4'-P energy: -61.312
tors. eta vs tors. theta energy: -97.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1096.157128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.157128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.157128 (E_RNA)
where:
Base-Base interactions energy: -752.211
where: short stacking energy: -312.973
Base-Backbone interact. energy: -4.156
local terms energy: -339.789703
where:
bonds (distance) C4'-P energy: -63.108
bonds (distance) P-C4' energy: -76.017
flat angles C4'-P-C4' energy: -74.564
flat angles P-C4'-P energy: -45.083
tors. eta vs tors. theta energy: -81.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -922.868819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.868819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.868819 (E_RNA)
where:
Base-Base interactions energy: -588.371
where: short stacking energy: -245.492
Base-Backbone interact. energy: -2.374
local terms energy: -332.123646
where:
bonds (distance) C4'-P energy: -72.717
bonds (distance) P-C4' energy: -75.302
flat angles C4'-P-C4' energy: -74.428
flat angles P-C4'-P energy: -41.695
tors. eta vs tors. theta energy: -67.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -785.203388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.203388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.203388 (E_RNA)
where:
Base-Base interactions energy: -493.805
where: short stacking energy: -231.687
Base-Backbone interact. energy: -1.915
local terms energy: -289.483588
where:
bonds (distance) C4'-P energy: -70.580
bonds (distance) P-C4' energy: -80.397
flat angles C4'-P-C4' energy: -57.012
flat angles P-C4'-P energy: -28.442
tors. eta vs tors. theta energy: -53.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -539.767664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.767664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.767664 (E_RNA)
where:
Base-Base interactions energy: -277.712
where: short stacking energy: -145.331
Base-Backbone interact. energy: -0.531
local terms energy: -261.524815
where:
bonds (distance) C4'-P energy: -68.482
bonds (distance) P-C4' energy: -71.866
flat angles C4'-P-C4' energy: -70.450
flat angles P-C4'-P energy: -37.316
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -343.844473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.844473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.844473 (E_RNA)
where:
Base-Base interactions energy: -114.712
where: short stacking energy: -96.582
Base-Backbone interact. energy: -0.595
local terms energy: -228.536879
where:
bonds (distance) C4'-P energy: -55.985
bonds (distance) P-C4' energy: -65.457
flat angles C4'-P-C4' energy: -75.920
flat angles P-C4'-P energy: -32.990
tors. eta vs tors. theta energy: 1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -340.295130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.295130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.295130 (E_RNA)
where:
Base-Base interactions energy: -123.734
where: short stacking energy: -105.941
Base-Backbone interact. energy: -1.465
local terms energy: -215.096841
where:
bonds (distance) C4'-P energy: -58.401
bonds (distance) P-C4' energy: -68.414
flat angles C4'-P-C4' energy: -68.590
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1423.474900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.474900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.474900 (E_RNA)
where:
Base-Base interactions energy: -995.063
where: short stacking energy: -401.015
Base-Backbone interact. energy: -2.091
local terms energy: -426.321164
where:
bonds (distance) C4'-P energy: -80.129
bonds (distance) P-C4' energy: -75.448
flat angles C4'-P-C4' energy: -87.166
flat angles P-C4'-P energy: -59.692
tors. eta vs tors. theta energy: -123.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1343.904992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.904992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.904992 (E_RNA)
where:
Base-Base interactions energy: -938.790
where: short stacking energy: -356.469
Base-Backbone interact. energy: 0.211
local terms energy: -405.325564
where:
bonds (distance) C4'-P energy: -83.444
bonds (distance) P-C4' energy: -76.940
flat angles C4'-P-C4' energy: -90.063
flat angles P-C4'-P energy: -53.791
tors. eta vs tors. theta energy: -101.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1259.944376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.944376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.944376 (E_RNA)
where:
Base-Base interactions energy: -868.077
where: short stacking energy: -351.663
Base-Backbone interact. energy: -2.348
local terms energy: -389.519246
where:
bonds (distance) C4'-P energy: -80.359
bonds (distance) P-C4' energy: -74.924
flat angles C4'-P-C4' energy: -75.046
flat angles P-C4'-P energy: -54.267
tors. eta vs tors. theta energy: -104.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1110.667263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.667263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.667263 (E_RNA)
where:
Base-Base interactions energy: -758.571
where: short stacking energy: -307.730
Base-Backbone interact. energy: -5.468
local terms energy: -346.627745
where:
bonds (distance) C4'-P energy: -69.852
bonds (distance) P-C4' energy: -60.200
flat angles C4'-P-C4' energy: -82.516
flat angles P-C4'-P energy: -55.300
tors. eta vs tors. theta energy: -78.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1098.659055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.659055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.659055 (E_RNA)
where:
Base-Base interactions energy: -751.244
where: short stacking energy: -316.991
Base-Backbone interact. energy: 2.845
local terms energy: -350.260098
where:
bonds (distance) C4'-P energy: -67.394
bonds (distance) P-C4' energy: -79.962
flat angles C4'-P-C4' energy: -61.073
flat angles P-C4'-P energy: -57.938
tors. eta vs tors. theta energy: -83.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -900.229247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.229247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.229247 (E_RNA)
where:
Base-Base interactions energy: -576.274
where: short stacking energy: -251.656
Base-Backbone interact. energy: -3.344
local terms energy: -320.611522
where:
bonds (distance) C4'-P energy: -69.981
bonds (distance) P-C4' energy: -72.412
flat angles C4'-P-C4' energy: -71.035
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -66.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -744.445759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.445759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.445759 (E_RNA)
where:
Base-Base interactions energy: -481.087
where: short stacking energy: -185.567
Base-Backbone interact. energy: -3.280
local terms energy: -260.078525
where:
bonds (distance) C4'-P energy: -71.504
bonds (distance) P-C4' energy: -60.370
flat angles C4'-P-C4' energy: -53.150
flat angles P-C4'-P energy: -40.750
tors. eta vs tors. theta energy: -34.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -563.537342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.537342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.537342 (E_RNA)
where:
Base-Base interactions energy: -308.501
where: short stacking energy: -181.805
Base-Backbone interact. energy: 2.063
local terms energy: -257.098702
where:
bonds (distance) C4'-P energy: -59.102
bonds (distance) P-C4' energy: -66.641
flat angles C4'-P-C4' energy: -73.180
flat angles P-C4'-P energy: -34.857
tors. eta vs tors. theta energy: -23.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -354.541246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.541246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.541246 (E_RNA)
where:
Base-Base interactions energy: -144.559
where: short stacking energy: -107.046
Base-Backbone interact. energy: -2.511
local terms energy: -207.471334
where:
bonds (distance) C4'-P energy: -62.545
bonds (distance) P-C4' energy: -60.078
flat angles C4'-P-C4' energy: -52.840
flat angles P-C4'-P energy: -37.289
tors. eta vs tors. theta energy: 5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -317.567103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.567103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.567103 (E_RNA)
where:
Base-Base interactions energy: -107.374
where: short stacking energy: -90.995
Base-Backbone interact. energy: -3.393
local terms energy: -206.799735
where:
bonds (distance) C4'-P energy: -69.889
bonds (distance) P-C4' energy: -54.550
flat angles C4'-P-C4' energy: -64.080
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: 0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1419.461482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.461482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.461482 (E_RNA)
where:
Base-Base interactions energy: -967.995
where: short stacking energy: -412.167
Base-Backbone interact. energy: 0.373
local terms energy: -451.839730
where:
bonds (distance) C4'-P energy: -83.229
bonds (distance) P-C4' energy: -75.884
flat angles C4'-P-C4' energy: -95.707
flat angles P-C4'-P energy: -65.570
tors. eta vs tors. theta energy: -131.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1326.035197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.035197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.035197 (E_RNA)
where:
Base-Base interactions energy: -917.649
where: short stacking energy: -354.410
Base-Backbone interact. energy: -2.908
local terms energy: -405.477867
where:
bonds (distance) C4'-P energy: -81.956
bonds (distance) P-C4' energy: -80.296
flat angles C4'-P-C4' energy: -87.827
flat angles P-C4'-P energy: -57.405
tors. eta vs tors. theta energy: -97.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1273.667131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.667131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.667131 (E_RNA)
where:
Base-Base interactions energy: -866.816
where: short stacking energy: -356.638
Base-Backbone interact. energy: 0.044
local terms energy: -406.894910
where:
bonds (distance) C4'-P energy: -79.539
bonds (distance) P-C4' energy: -77.543
flat angles C4'-P-C4' energy: -82.316
flat angles P-C4'-P energy: -52.098
tors. eta vs tors. theta energy: -115.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1089.302179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.302179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.302179 (E_RNA)
where:
Base-Base interactions energy: -742.811
where: short stacking energy: -305.819
Base-Backbone interact. energy: -3.103
local terms energy: -343.388001
where:
bonds (distance) C4'-P energy: -76.865
bonds (distance) P-C4' energy: -79.943
flat angles C4'-P-C4' energy: -76.682
flat angles P-C4'-P energy: -37.836
tors. eta vs tors. theta energy: -72.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1098.045520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.045520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.045520 (E_RNA)
where:
Base-Base interactions energy: -728.466
where: short stacking energy: -331.993
Base-Backbone interact. energy: -1.774
local terms energy: -367.804874
where:
bonds (distance) C4'-P energy: -72.536
bonds (distance) P-C4' energy: -75.600
flat angles C4'-P-C4' energy: -72.545
flat angles P-C4'-P energy: -51.629
tors. eta vs tors. theta energy: -95.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -919.569693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.569693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.569693 (E_RNA)
where:
Base-Base interactions energy: -581.328
where: short stacking energy: -285.035
Base-Backbone interact. energy: -2.756
local terms energy: -335.485711
where:
bonds (distance) C4'-P energy: -62.803
bonds (distance) P-C4' energy: -77.722
flat angles C4'-P-C4' energy: -77.607
flat angles P-C4'-P energy: -47.413
tors. eta vs tors. theta energy: -69.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -760.534040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.534040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.534040 (E_RNA)
where:
Base-Base interactions energy: -491.831
where: short stacking energy: -218.830
Base-Backbone interact. energy: -2.896
local terms energy: -265.807270
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -61.538
flat angles C4'-P-C4' energy: -53.669
flat angles P-C4'-P energy: -53.752
tors. eta vs tors. theta energy: -44.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -581.829200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.829200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.829200 (E_RNA)
where:
Base-Base interactions energy: -336.347
where: short stacking energy: -162.600
Base-Backbone interact. energy: -1.263
local terms energy: -244.219361
where:
bonds (distance) C4'-P energy: -66.208
bonds (distance) P-C4' energy: -71.380
flat angles C4'-P-C4' energy: -62.227
flat angles P-C4'-P energy: -26.321
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -361.543994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.543994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.543994 (E_RNA)
where:
Base-Base interactions energy: -132.790
where: short stacking energy: -109.268
Base-Backbone interact. energy: -1.935
local terms energy: -226.819062
where:
bonds (distance) C4'-P energy: -69.704
bonds (distance) P-C4' energy: -69.726
flat angles C4'-P-C4' energy: -70.097
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: 3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -311.056175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.056175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.056175 (E_RNA)
where:
Base-Base interactions energy: -103.069
where: short stacking energy: -57.813
Base-Backbone interact. energy: -0.692
local terms energy: -207.295360
where:
bonds (distance) C4'-P energy: -51.143
bonds (distance) P-C4' energy: -66.195
flat angles C4'-P-C4' energy: -66.442
flat angles P-C4'-P energy: -41.361
tors. eta vs tors. theta energy: 17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1440.495419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.495419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.495419 (E_RNA)
where:
Base-Base interactions energy: -992.073
where: short stacking energy: -423.000
Base-Backbone interact. energy: -2.471
local terms energy: -445.952190
where:
bonds (distance) C4'-P energy: -77.094
bonds (distance) P-C4' energy: -89.545
flat angles C4'-P-C4' energy: -88.619
flat angles P-C4'-P energy: -59.384
tors. eta vs tors. theta energy: -131.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1328.763773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.763773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.763773 (E_RNA)
where:
Base-Base interactions energy: -928.518
where: short stacking energy: -370.230
Base-Backbone interact. energy: -2.832
local terms energy: -397.413934
where:
bonds (distance) C4'-P energy: -68.805
bonds (distance) P-C4' energy: -76.182
flat angles C4'-P-C4' energy: -86.415
flat angles P-C4'-P energy: -60.261
tors. eta vs tors. theta energy: -105.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1298.013537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.013537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.013537 (E_RNA)
where:
Base-Base interactions energy: -898.089
where: short stacking energy: -366.280
Base-Backbone interact. energy: -1.878
local terms energy: -398.046353
where:
bonds (distance) C4'-P energy: -77.049
bonds (distance) P-C4' energy: -74.070
flat angles C4'-P-C4' energy: -89.622
flat angles P-C4'-P energy: -40.842
tors. eta vs tors. theta energy: -116.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1102.287947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.287947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.287947 (E_RNA)
where:
Base-Base interactions energy: -734.898
where: short stacking energy: -305.823
Base-Backbone interact. energy: -2.173
local terms energy: -365.216434
where:
bonds (distance) C4'-P energy: -77.999
bonds (distance) P-C4' energy: -76.578
flat angles C4'-P-C4' energy: -80.056
flat angles P-C4'-P energy: -49.058
tors. eta vs tors. theta energy: -81.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1136.714699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.714699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.714699 (E_RNA)
where:
Base-Base interactions energy: -762.463
where: short stacking energy: -326.852
Base-Backbone interact. energy: -1.290
local terms energy: -372.962632
where:
bonds (distance) C4'-P energy: -70.665
bonds (distance) P-C4' energy: -61.840
flat angles C4'-P-C4' energy: -87.452
flat angles P-C4'-P energy: -53.628
tors. eta vs tors. theta energy: -99.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -955.400466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.400466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.400466 (E_RNA)
where:
Base-Base interactions energy: -602.480
where: short stacking energy: -294.091
Base-Backbone interact. energy: 2.101
local terms energy: -355.021546
where:
bonds (distance) C4'-P energy: -69.339
bonds (distance) P-C4' energy: -73.555
flat angles C4'-P-C4' energy: -83.533
flat angles P-C4'-P energy: -53.296
tors. eta vs tors. theta energy: -75.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -765.518967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.518967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.518967 (E_RNA)
where:
Base-Base interactions energy: -465.146
where: short stacking energy: -199.427
Base-Backbone interact. energy: -2.617
local terms energy: -297.755780
where:
bonds (distance) C4'-P energy: -65.770
bonds (distance) P-C4' energy: -74.071
flat angles C4'-P-C4' energy: -59.205
flat angles P-C4'-P energy: -48.576
tors. eta vs tors. theta energy: -50.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -576.906433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.906433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.906433 (E_RNA)
where:
Base-Base interactions energy: -301.131
where: short stacking energy: -134.231
Base-Backbone interact. energy: -1.497
local terms energy: -274.278882
where:
bonds (distance) C4'-P energy: -74.641
bonds (distance) P-C4' energy: -58.470
flat angles C4'-P-C4' energy: -69.850
flat angles P-C4'-P energy: -51.815
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -334.416112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.416112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.416112 (E_RNA)
where:
Base-Base interactions energy: -133.451
where: short stacking energy: -88.518
Base-Backbone interact. energy: -1.189
local terms energy: -199.776187
where:
bonds (distance) C4'-P energy: -62.236
bonds (distance) P-C4' energy: -69.151
flat angles C4'-P-C4' energy: -59.461
flat angles P-C4'-P energy: -20.417
tors. eta vs tors. theta energy: 11.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -317.633736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.633736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.633736 (E_RNA)
where:
Base-Base interactions energy: -109.796
where: short stacking energy: -95.629
Base-Backbone interact. energy: 2.354
local terms energy: -210.190941
where:
bonds (distance) C4'-P energy: -51.508
bonds (distance) P-C4' energy: -70.942
flat angles C4'-P-C4' energy: -56.542
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: 10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1439.690526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.690526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.690526 (E_RNA)
where:
Base-Base interactions energy: -995.848
where: short stacking energy: -405.294
Base-Backbone interact. energy: -1.355
local terms energy: -442.487169
where:
bonds (distance) C4'-P energy: -77.546
bonds (distance) P-C4' energy: -79.361
flat angles C4'-P-C4' energy: -93.459
flat angles P-C4'-P energy: -58.581
tors. eta vs tors. theta energy: -133.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1342.107871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.107871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.107871 (E_RNA)
where:
Base-Base interactions energy: -931.453
where: short stacking energy: -373.636
Base-Backbone interact. energy: -4.730
local terms energy: -405.924722
where:
bonds (distance) C4'-P energy: -73.345
bonds (distance) P-C4' energy: -79.541
flat angles C4'-P-C4' energy: -91.133
flat angles P-C4'-P energy: -59.379
tors. eta vs tors. theta energy: -102.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1293.538092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.538092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.538092 (E_RNA)
where:
Base-Base interactions energy: -878.957
where: short stacking energy: -360.062
Base-Backbone interact. energy: -1.830
local terms energy: -412.751162
where:
bonds (distance) C4'-P energy: -74.337
bonds (distance) P-C4' energy: -70.664
flat angles C4'-P-C4' energy: -90.658
flat angles P-C4'-P energy: -53.945
tors. eta vs tors. theta energy: -123.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1131.364594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.364594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.364594 (E_RNA)
where:
Base-Base interactions energy: -785.749
where: short stacking energy: -333.837
Base-Backbone interact. energy: -0.349
local terms energy: -345.266526
where:
bonds (distance) C4'-P energy: -61.224
bonds (distance) P-C4' energy: -62.950
flat angles C4'-P-C4' energy: -80.978
flat angles P-C4'-P energy: -51.171
tors. eta vs tors. theta energy: -88.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1119.794621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.794621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.794621 (E_RNA)
where:
Base-Base interactions energy: -752.664
where: short stacking energy: -310.462
Base-Backbone interact. energy: -0.851
local terms energy: -366.279676
where:
bonds (distance) C4'-P energy: -77.369
bonds (distance) P-C4' energy: -62.367
flat angles C4'-P-C4' energy: -87.162
flat angles P-C4'-P energy: -42.373
tors. eta vs tors. theta energy: -97.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -904.959270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.959270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.959270 (E_RNA)
where:
Base-Base interactions energy: -603.992
where: short stacking energy: -247.484
Base-Backbone interact. energy: -0.990
local terms energy: -299.978108
where:
bonds (distance) C4'-P energy: -65.314
bonds (distance) P-C4' energy: -48.627
flat angles C4'-P-C4' energy: -74.561
flat angles P-C4'-P energy: -56.691
tors. eta vs tors. theta energy: -54.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -758.292744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.292744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.292744 (E_RNA)
where:
Base-Base interactions energy: -460.949
where: short stacking energy: -192.034
Base-Backbone interact. energy: -1.346
local terms energy: -295.998272
where:
bonds (distance) C4'-P energy: -82.071
bonds (distance) P-C4' energy: -63.978
flat angles C4'-P-C4' energy: -63.035
flat angles P-C4'-P energy: -44.681
tors. eta vs tors. theta energy: -42.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -600.410911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.410911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.410911 (E_RNA)
where:
Base-Base interactions energy: -341.218
where: short stacking energy: -171.455
Base-Backbone interact. energy: -0.136
local terms energy: -259.056556
where:
bonds (distance) C4'-P energy: -60.454
bonds (distance) P-C4' energy: -81.469
flat angles C4'-P-C4' energy: -48.824
flat angles P-C4'-P energy: -41.173
tors. eta vs tors. theta energy: -27.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -360.494429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.494429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.494429 (E_RNA)
where:
Base-Base interactions energy: -127.122
where: short stacking energy: -103.182
Base-Backbone interact. energy: -1.867
local terms energy: -231.505251
where:
bonds (distance) C4'-P energy: -63.888
bonds (distance) P-C4' energy: -81.275
flat angles C4'-P-C4' energy: -59.826
flat angles P-C4'-P energy: -32.327
tors. eta vs tors. theta energy: 5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -308.717647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.717647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.717647 (E_RNA)
where:
Base-Base interactions energy: -95.669
where: short stacking energy: -74.770
Base-Backbone interact. energy: 0.487
local terms energy: -213.535732
where:
bonds (distance) C4'-P energy: -64.981
bonds (distance) P-C4' energy: -81.648
flat angles C4'-P-C4' energy: -52.809
flat angles P-C4'-P energy: -32.881
tors. eta vs tors. theta energy: 18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1433.498433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.498433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.498433 (E_RNA)
where:
Base-Base interactions energy: -996.046
where: short stacking energy: -428.338
Base-Backbone interact. energy: -0.097
local terms energy: -437.355850
where:
bonds (distance) C4'-P energy: -86.744
bonds (distance) P-C4' energy: -79.169
flat angles C4'-P-C4' energy: -87.833
flat angles P-C4'-P energy: -57.812
tors. eta vs tors. theta energy: -125.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1321.328004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.328004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.328004 (E_RNA)
where:
Base-Base interactions energy: -926.013
where: short stacking energy: -363.161
Base-Backbone interact. energy: -1.492
local terms energy: -393.822887
where:
bonds (distance) C4'-P energy: -75.124
bonds (distance) P-C4' energy: -75.920
flat angles C4'-P-C4' energy: -88.076
flat angles P-C4'-P energy: -46.751
tors. eta vs tors. theta energy: -107.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1294.628177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.628177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.628177 (E_RNA)
where:
Base-Base interactions energy: -890.565
where: short stacking energy: -361.661
Base-Backbone interact. energy: -1.346
local terms energy: -402.716668
where:
bonds (distance) C4'-P energy: -76.324
bonds (distance) P-C4' energy: -61.990
flat angles C4'-P-C4' energy: -89.155
flat angles P-C4'-P energy: -56.054
tors. eta vs tors. theta energy: -119.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1156.936452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.936452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.936452 (E_RNA)
where:
Base-Base interactions energy: -773.960
where: short stacking energy: -334.004
Base-Backbone interact. energy: -1.056
local terms energy: -381.920573
where:
bonds (distance) C4'-P energy: -71.993
bonds (distance) P-C4' energy: -85.855
flat angles C4'-P-C4' energy: -80.017
flat angles P-C4'-P energy: -50.810
tors. eta vs tors. theta energy: -93.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1105.467497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.467497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.467497 (E_RNA)
where:
Base-Base interactions energy: -761.383
where: short stacking energy: -303.805
Base-Backbone interact. energy: -2.352
local terms energy: -341.731952
where:
bonds (distance) C4'-P energy: -60.375
bonds (distance) P-C4' energy: -78.819
flat angles C4'-P-C4' energy: -83.106
flat angles P-C4'-P energy: -46.960
tors. eta vs tors. theta energy: -72.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -954.427656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.427656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.427656 (E_RNA)
where:
Base-Base interactions energy: -629.625
where: short stacking energy: -280.131
Base-Backbone interact. energy: -2.725
local terms energy: -322.077441
where:
bonds (distance) C4'-P energy: -63.240
bonds (distance) P-C4' energy: -65.627
flat angles C4'-P-C4' energy: -87.183
flat angles P-C4'-P energy: -48.517
tors. eta vs tors. theta energy: -57.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -782.035527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.035527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.035527 (E_RNA)
where:
Base-Base interactions energy: -492.441
where: short stacking energy: -218.337
Base-Backbone interact. energy: -0.757
local terms energy: -288.836877
where:
bonds (distance) C4'-P energy: -60.326
bonds (distance) P-C4' energy: -62.122
flat angles C4'-P-C4' energy: -62.949
flat angles P-C4'-P energy: -46.338
tors. eta vs tors. theta energy: -57.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -601.749161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.749161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.749161 (E_RNA)
where:
Base-Base interactions energy: -343.600
where: short stacking energy: -166.555
Base-Backbone interact. energy: -3.117
local terms energy: -255.032461
where:
bonds (distance) C4'-P energy: -64.976
bonds (distance) P-C4' energy: -64.459
flat angles C4'-P-C4' energy: -53.743
flat angles P-C4'-P energy: -40.611
tors. eta vs tors. theta energy: -31.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -363.853652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.853652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.853652 (E_RNA)
where:
Base-Base interactions energy: -137.183
where: short stacking energy: -108.507
Base-Backbone interact. energy: 0.852
local terms energy: -227.523077
where:
bonds (distance) C4'-P energy: -69.191
bonds (distance) P-C4' energy: -74.894
flat angles C4'-P-C4' energy: -70.572
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: 10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -306.702450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.702450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.702450 (E_RNA)
where:
Base-Base interactions energy: -98.006
where: short stacking energy: -80.014
Base-Backbone interact. energy: 1.912
local terms energy: -210.608200
where:
bonds (distance) C4'-P energy: -54.345
bonds (distance) P-C4' energy: -68.137
flat angles C4'-P-C4' energy: -64.703
flat angles P-C4'-P energy: -37.147
tors. eta vs tors. theta energy: 13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1409.465386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.465386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.465386 (E_RNA)
where:
Base-Base interactions energy: -969.397
where: short stacking energy: -402.805
Base-Backbone interact. energy: 0.013
local terms energy: -440.081894
where:
bonds (distance) C4'-P energy: -85.269
bonds (distance) P-C4' energy: -80.632
flat angles C4'-P-C4' energy: -89.509
flat angles P-C4'-P energy: -55.610
tors. eta vs tors. theta energy: -129.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1319.835636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.835636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.835636 (E_RNA)
where:
Base-Base interactions energy: -891.327
where: short stacking energy: -359.982
Base-Backbone interact. energy: -1.953
local terms energy: -426.555346
where:
bonds (distance) C4'-P energy: -79.557
bonds (distance) P-C4' energy: -81.374
flat angles C4'-P-C4' energy: -94.874
flat angles P-C4'-P energy: -68.266
tors. eta vs tors. theta energy: -102.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1312.912691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.912691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.912691 (E_RNA)
where:
Base-Base interactions energy: -892.774
where: short stacking energy: -374.280
Base-Backbone interact. energy: -2.421
local terms energy: -417.718514
where:
bonds (distance) C4'-P energy: -75.429
bonds (distance) P-C4' energy: -75.674
flat angles C4'-P-C4' energy: -84.322
flat angles P-C4'-P energy: -68.585
tors. eta vs tors. theta energy: -113.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1180.261139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.261139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.261139 (E_RNA)
where:
Base-Base interactions energy: -810.137
where: short stacking energy: -349.239
Base-Backbone interact. energy: -0.730
local terms energy: -369.393856
where:
bonds (distance) C4'-P energy: -71.947
bonds (distance) P-C4' energy: -71.607
flat angles C4'-P-C4' energy: -85.171
flat angles P-C4'-P energy: -44.614
tors. eta vs tors. theta energy: -96.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1111.171797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.171797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.171797 (E_RNA)
where:
Base-Base interactions energy: -763.478
where: short stacking energy: -320.089
Base-Backbone interact. energy: -3.592
local terms energy: -344.101470
where:
bonds (distance) C4'-P energy: -64.527
bonds (distance) P-C4' energy: -68.517
flat angles C4'-P-C4' energy: -73.316
flat angles P-C4'-P energy: -50.157
tors. eta vs tors. theta energy: -87.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -979.290857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.290857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.290857 (E_RNA)
where:
Base-Base interactions energy: -657.185
where: short stacking energy: -270.958
Base-Backbone interact. energy: 0.258
local terms energy: -322.363876
where:
bonds (distance) C4'-P energy: -71.464
bonds (distance) P-C4' energy: -66.583
flat angles C4'-P-C4' energy: -72.772
flat angles P-C4'-P energy: -55.484
tors. eta vs tors. theta energy: -56.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -819.140055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.140055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.140055 (E_RNA)
where:
Base-Base interactions energy: -506.843
where: short stacking energy: -242.999
Base-Backbone interact. energy: -1.277
local terms energy: -311.020535
where:
bonds (distance) C4'-P energy: -66.970
bonds (distance) P-C4' energy: -64.762
flat angles C4'-P-C4' energy: -74.716
flat angles P-C4'-P energy: -44.096
tors. eta vs tors. theta energy: -60.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -604.828998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.828998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.828998 (E_RNA)
where:
Base-Base interactions energy: -347.825
where: short stacking energy: -175.260
Base-Backbone interact. energy: -3.510
local terms energy: -253.493397
where:
bonds (distance) C4'-P energy: -67.212
bonds (distance) P-C4' energy: -64.994
flat angles C4'-P-C4' energy: -55.005
flat angles P-C4'-P energy: -39.412
tors. eta vs tors. theta energy: -26.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -355.811507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.811507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.811507 (E_RNA)
where:
Base-Base interactions energy: -141.536
where: short stacking energy: -114.671
Base-Backbone interact. energy: 1.951
local terms energy: -216.227047
where:
bonds (distance) C4'-P energy: -63.641
bonds (distance) P-C4' energy: -68.762
flat angles C4'-P-C4' energy: -51.741
flat angles P-C4'-P energy: -40.119
tors. eta vs tors. theta energy: 8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -331.972792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.972792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.972792 (E_RNA)
where:
Base-Base interactions energy: -130.759
where: short stacking energy: -92.535
Base-Backbone interact. energy: -0.052
local terms energy: -201.161731
where:
bonds (distance) C4'-P energy: -52.879
bonds (distance) P-C4' energy: -65.677
flat angles C4'-P-C4' energy: -69.810
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: 2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1423.985910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.985910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.985910 (E_RNA)
where:
Base-Base interactions energy: -995.454
where: short stacking energy: -405.398
Base-Backbone interact. energy: -0.622
local terms energy: -427.909798
where:
bonds (distance) C4'-P energy: -64.200
bonds (distance) P-C4' energy: -73.980
flat angles C4'-P-C4' energy: -94.105
flat angles P-C4'-P energy: -67.710
tors. eta vs tors. theta energy: -127.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1327.269637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.269637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.269637 (E_RNA)
where:
Base-Base interactions energy: -905.753
where: short stacking energy: -378.896
Base-Backbone interact. energy: -1.096
local terms energy: -420.420849
where:
bonds (distance) C4'-P energy: -80.921
bonds (distance) P-C4' energy: -78.180
flat angles C4'-P-C4' energy: -80.290
flat angles P-C4'-P energy: -54.175
tors. eta vs tors. theta energy: -126.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1290.967767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.967767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.967767 (E_RNA)
where:
Base-Base interactions energy: -896.847
where: short stacking energy: -350.530
Base-Backbone interact. energy: -1.906
local terms energy: -392.214748
where:
bonds (distance) C4'-P energy: -74.736
bonds (distance) P-C4' energy: -78.630
flat angles C4'-P-C4' energy: -79.580
flat angles P-C4'-P energy: -54.906
tors. eta vs tors. theta energy: -104.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1158.145245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.145245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.145245 (E_RNA)
where:
Base-Base interactions energy: -761.052
where: short stacking energy: -324.074
Base-Backbone interact. energy: -2.884
local terms energy: -394.208682
where:
bonds (distance) C4'-P energy: -80.338
bonds (distance) P-C4' energy: -73.154
flat angles C4'-P-C4' energy: -81.402
flat angles P-C4'-P energy: -59.609
tors. eta vs tors. theta energy: -99.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1100.249110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.249110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.249110 (E_RNA)
where:
Base-Base interactions energy: -730.289
where: short stacking energy: -304.627
Base-Backbone interact. energy: 2.157
local terms energy: -372.117004
where:
bonds (distance) C4'-P energy: -69.343
bonds (distance) P-C4' energy: -83.481
flat angles C4'-P-C4' energy: -76.559
flat angles P-C4'-P energy: -60.239
tors. eta vs tors. theta energy: -82.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -903.339961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.339961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.339961 (E_RNA)
where:
Base-Base interactions energy: -566.425
where: short stacking energy: -266.201
Base-Backbone interact. energy: 0.314
local terms energy: -337.229072
where:
bonds (distance) C4'-P energy: -74.720
bonds (distance) P-C4' energy: -72.863
flat angles C4'-P-C4' energy: -73.733
flat angles P-C4'-P energy: -44.194
tors. eta vs tors. theta energy: -71.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -794.189627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.189627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.189627 (E_RNA)
where:
Base-Base interactions energy: -472.855
where: short stacking energy: -201.320
Base-Backbone interact. energy: -1.573
local terms energy: -319.762436
where:
bonds (distance) C4'-P energy: -72.690
bonds (distance) P-C4' energy: -81.095
flat angles C4'-P-C4' energy: -67.496
flat angles P-C4'-P energy: -54.525
tors. eta vs tors. theta energy: -43.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -611.076958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.076958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.076958 (E_RNA)
where:
Base-Base interactions energy: -330.219
where: short stacking energy: -182.447
Base-Backbone interact. energy: 2.867
local terms energy: -283.724800
where:
bonds (distance) C4'-P energy: -60.407
bonds (distance) P-C4' energy: -78.497
flat angles C4'-P-C4' energy: -73.719
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -29.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -363.225486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.225486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.225486 (E_RNA)
where:
Base-Base interactions energy: -162.407
where: short stacking energy: -128.836
Base-Backbone interact. energy: 1.403
local terms energy: -202.222196
where:
bonds (distance) C4'-P energy: -60.470
bonds (distance) P-C4' energy: -73.024
flat angles C4'-P-C4' energy: -51.252
flat angles P-C4'-P energy: -27.490
tors. eta vs tors. theta energy: 10.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -318.351893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.351893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.351893 (E_RNA)
where:
Base-Base interactions energy: -119.731
where: short stacking energy: -74.732
Base-Backbone interact. energy: -1.053
local terms energy: -197.568561
where:
bonds (distance) C4'-P energy: -74.473
bonds (distance) P-C4' energy: -67.347
flat angles C4'-P-C4' energy: -51.919
flat angles P-C4'-P energy: -31.342
tors. eta vs tors. theta energy: 27.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1399.531557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.531557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.531557 (E_RNA)
where:
Base-Base interactions energy: -964.016
where: short stacking energy: -397.666
Base-Backbone interact. energy: -0.746
local terms energy: -434.770208
where:
bonds (distance) C4'-P energy: -79.687
bonds (distance) P-C4' energy: -78.219
flat angles C4'-P-C4' energy: -94.238
flat angles P-C4'-P energy: -62.748
tors. eta vs tors. theta energy: -119.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1340.790749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.790749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.790749 (E_RNA)
where:
Base-Base interactions energy: -915.286
where: short stacking energy: -373.682
Base-Backbone interact. energy: -3.052
local terms energy: -422.452730
where:
bonds (distance) C4'-P energy: -75.186
bonds (distance) P-C4' energy: -77.534
flat angles C4'-P-C4' energy: -90.111
flat angles P-C4'-P energy: -56.457
tors. eta vs tors. theta energy: -123.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1272.417240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.417240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.417240 (E_RNA)
where:
Base-Base interactions energy: -880.450
where: short stacking energy: -365.619
Base-Backbone interact. energy: -1.028
local terms energy: -390.939252
where:
bonds (distance) C4'-P energy: -70.411
bonds (distance) P-C4' energy: -64.605
flat angles C4'-P-C4' energy: -82.654
flat angles P-C4'-P energy: -59.029
tors. eta vs tors. theta energy: -114.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1183.469914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.469914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.469914 (E_RNA)
where:
Base-Base interactions energy: -801.630
where: short stacking energy: -333.611
Base-Backbone interact. energy: -3.104
local terms energy: -378.736157
where:
bonds (distance) C4'-P energy: -73.342
bonds (distance) P-C4' energy: -71.237
flat angles C4'-P-C4' energy: -79.829
flat angles P-C4'-P energy: -61.507
tors. eta vs tors. theta energy: -92.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1112.370011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.370011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.370011 (E_RNA)
where:
Base-Base interactions energy: -755.701
where: short stacking energy: -310.486
Base-Backbone interact. energy: -3.909
local terms energy: -352.760207
where:
bonds (distance) C4'-P energy: -80.188
bonds (distance) P-C4' energy: -71.034
flat angles C4'-P-C4' energy: -84.204
flat angles P-C4'-P energy: -40.298
tors. eta vs tors. theta energy: -77.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -866.587369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.587369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.587369 (E_RNA)
where:
Base-Base interactions energy: -557.536
where: short stacking energy: -243.517
Base-Backbone interact. energy: -1.611
local terms energy: -307.440519
where:
bonds (distance) C4'-P energy: -63.156
bonds (distance) P-C4' energy: -71.139
flat angles C4'-P-C4' energy: -73.894
flat angles P-C4'-P energy: -38.707
tors. eta vs tors. theta energy: -60.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -743.644514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.644514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.644514 (E_RNA)
where:
Base-Base interactions energy: -455.806
where: short stacking energy: -204.504
Base-Backbone interact. energy: 0.693
local terms energy: -288.532100
where:
bonds (distance) C4'-P energy: -73.520
bonds (distance) P-C4' energy: -58.976
flat angles C4'-P-C4' energy: -65.894
flat angles P-C4'-P energy: -44.303
tors. eta vs tors. theta energy: -45.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -612.011934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.011934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.011934 (E_RNA)
where:
Base-Base interactions energy: -355.776
where: short stacking energy: -169.727
Base-Backbone interact. energy: 5.109
local terms energy: -261.345005
where:
bonds (distance) C4'-P energy: -60.507
bonds (distance) P-C4' energy: -67.265
flat angles C4'-P-C4' energy: -66.794
flat angles P-C4'-P energy: -34.889
tors. eta vs tors. theta energy: -31.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -361.635573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.635573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.635573 (E_RNA)
where:
Base-Base interactions energy: -149.750
where: short stacking energy: -117.388
Base-Backbone interact. energy: 0.716
local terms energy: -212.601561
where:
bonds (distance) C4'-P energy: -64.092
bonds (distance) P-C4' energy: -63.874
flat angles C4'-P-C4' energy: -50.835
flat angles P-C4'-P energy: -27.304
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -339.348919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.348919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.348919 (E_RNA)
where:
Base-Base interactions energy: -115.529
where: short stacking energy: -83.251
Base-Backbone interact. energy: -1.449
local terms energy: -222.370297
where:
bonds (distance) C4'-P energy: -61.455
bonds (distance) P-C4' energy: -67.391
flat angles C4'-P-C4' energy: -52.337
flat angles P-C4'-P energy: -48.626
tors. eta vs tors. theta energy: 7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1411.719247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.719247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.719247 (E_RNA)
where:
Base-Base interactions energy: -982.615
where: short stacking energy: -402.028
Base-Backbone interact. energy: -1.633
local terms energy: -427.471019
where:
bonds (distance) C4'-P energy: -76.268
bonds (distance) P-C4' energy: -75.957
flat angles C4'-P-C4' energy: -91.375
flat angles P-C4'-P energy: -55.799
tors. eta vs tors. theta energy: -128.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1347.248437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.248437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.248437 (E_RNA)
where:
Base-Base interactions energy: -917.177
where: short stacking energy: -378.019
Base-Backbone interact. energy: -0.436
local terms energy: -429.635894
where:
bonds (distance) C4'-P energy: -75.795
bonds (distance) P-C4' energy: -80.069
flat angles C4'-P-C4' energy: -89.554
flat angles P-C4'-P energy: -65.406
tors. eta vs tors. theta energy: -118.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1287.561553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.561553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.561553 (E_RNA)
where:
Base-Base interactions energy: -872.468
where: short stacking energy: -346.596
Base-Backbone interact. energy: -3.306
local terms energy: -411.787525
where:
bonds (distance) C4'-P energy: -80.974
bonds (distance) P-C4' energy: -73.920
flat angles C4'-P-C4' energy: -84.982
flat angles P-C4'-P energy: -58.797
tors. eta vs tors. theta energy: -113.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1185.898704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.898704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.898704 (E_RNA)
where:
Base-Base interactions energy: -804.912
where: short stacking energy: -353.570
Base-Backbone interact. energy: -2.923
local terms energy: -378.063679
where:
bonds (distance) C4'-P energy: -66.358
bonds (distance) P-C4' energy: -65.314
flat angles C4'-P-C4' energy: -75.932
flat angles P-C4'-P energy: -63.719
tors. eta vs tors. theta energy: -106.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1089.942232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.942232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.942232 (E_RNA)
where:
Base-Base interactions energy: -752.734
where: short stacking energy: -294.781
Base-Backbone interact. energy: -0.303
local terms energy: -336.905144
where:
bonds (distance) C4'-P energy: -69.120
bonds (distance) P-C4' energy: -65.885
flat angles C4'-P-C4' energy: -68.743
flat angles P-C4'-P energy: -52.586
tors. eta vs tors. theta energy: -80.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -847.270824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.270824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.270824 (E_RNA)
where:
Base-Base interactions energy: -537.126
where: short stacking energy: -269.816
Base-Backbone interact. energy: -1.729
local terms energy: -308.416192
where:
bonds (distance) C4'-P energy: -71.904
bonds (distance) P-C4' energy: -69.218
flat angles C4'-P-C4' energy: -63.191
flat angles P-C4'-P energy: -44.957
tors. eta vs tors. theta energy: -59.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -746.497587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.497587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.497587 (E_RNA)
where:
Base-Base interactions energy: -467.039
where: short stacking energy: -187.360
Base-Backbone interact. energy: -1.130
local terms energy: -278.329139
where:
bonds (distance) C4'-P energy: -62.885
bonds (distance) P-C4' energy: -76.410
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -48.336
tors. eta vs tors. theta energy: -33.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -544.726448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.726448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.726448 (E_RNA)
where:
Base-Base interactions energy: -291.727
where: short stacking energy: -173.102
Base-Backbone interact. energy: -0.460
local terms energy: -252.538659
where:
bonds (distance) C4'-P energy: -64.503
bonds (distance) P-C4' energy: -63.105
flat angles C4'-P-C4' energy: -54.268
flat angles P-C4'-P energy: -41.722
tors. eta vs tors. theta energy: -28.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -335.513309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.513309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.513309 (E_RNA)
where:
Base-Base interactions energy: -126.438
where: short stacking energy: -100.765
Base-Backbone interact. energy: -3.778
local terms energy: -205.297829
where:
bonds (distance) C4'-P energy: -65.964
bonds (distance) P-C4' energy: -60.200
flat angles C4'-P-C4' energy: -74.202
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: 13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -342.367959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.367959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.367959 (E_RNA)
where:
Base-Base interactions energy: -127.485
where: short stacking energy: -91.123
Base-Backbone interact. energy: 3.828
local terms energy: -218.710803
where:
bonds (distance) C4'-P energy: -65.433
bonds (distance) P-C4' energy: -75.020
flat angles C4'-P-C4' energy: -55.676
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: 9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1426.816819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.816819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.816819 (E_RNA)
where:
Base-Base interactions energy: -993.288
where: short stacking energy: -427.959
Base-Backbone interact. energy: -1.406
local terms energy: -432.123687
where:
bonds (distance) C4'-P energy: -80.587
bonds (distance) P-C4' energy: -79.298
flat angles C4'-P-C4' energy: -86.559
flat angles P-C4'-P energy: -59.998
tors. eta vs tors. theta energy: -125.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1346.792737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.792737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.792737 (E_RNA)
where:
Base-Base interactions energy: -924.498
where: short stacking energy: -354.646
Base-Backbone interact. energy: -2.018
local terms energy: -420.276562
where:
bonds (distance) C4'-P energy: -76.561
bonds (distance) P-C4' energy: -79.048
flat angles C4'-P-C4' energy: -81.205
flat angles P-C4'-P energy: -56.764
tors. eta vs tors. theta energy: -126.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1250.970927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.970927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.970927 (E_RNA)
where:
Base-Base interactions energy: -855.636
where: short stacking energy: -363.436
Base-Backbone interact. energy: 0.973
local terms energy: -396.308238
where:
bonds (distance) C4'-P energy: -65.446
bonds (distance) P-C4' energy: -77.973
flat angles C4'-P-C4' energy: -92.457
flat angles P-C4'-P energy: -47.395
tors. eta vs tors. theta energy: -113.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1158.238072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.238072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.238072 (E_RNA)
where:
Base-Base interactions energy: -769.175
where: short stacking energy: -338.005
Base-Backbone interact. energy: -0.040
local terms energy: -389.023386
where:
bonds (distance) C4'-P energy: -74.325
bonds (distance) P-C4' energy: -65.670
flat angles C4'-P-C4' energy: -89.034
flat angles P-C4'-P energy: -56.760
tors. eta vs tors. theta energy: -103.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1117.712419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.712419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.712419 (E_RNA)
where:
Base-Base interactions energy: -756.718
where: short stacking energy: -314.130
Base-Backbone interact. energy: -1.057
local terms energy: -359.936695
where:
bonds (distance) C4'-P energy: -75.475
bonds (distance) P-C4' energy: -76.323
flat angles C4'-P-C4' energy: -76.596
flat angles P-C4'-P energy: -44.207
tors. eta vs tors. theta energy: -87.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -776.808135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.808135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.808135 (E_RNA)
where:
Base-Base interactions energy: -488.582
where: short stacking energy: -222.866
Base-Backbone interact. energy: -2.123
local terms energy: -286.103393
where:
bonds (distance) C4'-P energy: -59.308
bonds (distance) P-C4' energy: -68.887
flat angles C4'-P-C4' energy: -65.103
flat angles P-C4'-P energy: -45.257
tors. eta vs tors. theta energy: -47.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -724.623814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.623814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.623814 (E_RNA)
where:
Base-Base interactions energy: -430.848
where: short stacking energy: -175.123
Base-Backbone interact. energy: -0.173
local terms energy: -293.602412
where:
bonds (distance) C4'-P energy: -66.133
bonds (distance) P-C4' energy: -70.078
flat angles C4'-P-C4' energy: -69.786
flat angles P-C4'-P energy: -59.256
tors. eta vs tors. theta energy: -28.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -528.405684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.405684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.405684 (E_RNA)
where:
Base-Base interactions energy: -282.027
where: short stacking energy: -165.756
Base-Backbone interact. energy: -0.904
local terms energy: -245.474940
where:
bonds (distance) C4'-P energy: -63.462
bonds (distance) P-C4' energy: -67.245
flat angles C4'-P-C4' energy: -56.988
flat angles P-C4'-P energy: -39.295
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -365.402442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.402442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.402442 (E_RNA)
where:
Base-Base interactions energy: -141.668
where: short stacking energy: -98.394
Base-Backbone interact. energy: -3.601
local terms energy: -220.133785
where:
bonds (distance) C4'-P energy: -68.783
bonds (distance) P-C4' energy: -73.971
flat angles C4'-P-C4' energy: -44.664
flat angles P-C4'-P energy: -39.372
tors. eta vs tors. theta energy: 6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -311.066273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.066273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.066273 (E_RNA)
where:
Base-Base interactions energy: -105.257
where: short stacking energy: -77.762
Base-Backbone interact. energy: 0.306
local terms energy: -206.115393
where:
bonds (distance) C4'-P energy: -57.869
bonds (distance) P-C4' energy: -60.888
flat angles C4'-P-C4' energy: -73.208
flat angles P-C4'-P energy: -38.954
tors. eta vs tors. theta energy: 24.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1421.656235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.656235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.656235 (E_RNA)
where:
Base-Base interactions energy: -986.466
where: short stacking energy: -406.843
Base-Backbone interact. energy: -2.226
local terms energy: -432.964824
where:
bonds (distance) C4'-P energy: -75.607
bonds (distance) P-C4' energy: -83.837
flat angles C4'-P-C4' energy: -84.798
flat angles P-C4'-P energy: -57.104
tors. eta vs tors. theta energy: -131.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1330.499237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.499237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.499237 (E_RNA)
where:
Base-Base interactions energy: -898.076
where: short stacking energy: -386.595
Base-Backbone interact. energy: -2.230
local terms energy: -430.194011
where:
bonds (distance) C4'-P energy: -75.056
bonds (distance) P-C4' energy: -78.582
flat angles C4'-P-C4' energy: -94.849
flat angles P-C4'-P energy: -58.443
tors. eta vs tors. theta energy: -123.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1272.022968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.022968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.022968 (E_RNA)
where:
Base-Base interactions energy: -873.203
where: short stacking energy: -356.779
Base-Backbone interact. energy: -2.085
local terms energy: -396.735168
where:
bonds (distance) C4'-P energy: -72.703
bonds (distance) P-C4' energy: -77.586
flat angles C4'-P-C4' energy: -79.334
flat angles P-C4'-P energy: -55.619
tors. eta vs tors. theta energy: -111.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1179.983118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.983118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.983118 (E_RNA)
where:
Base-Base interactions energy: -792.559
where: short stacking energy: -327.074
Base-Backbone interact. energy: -1.867
local terms energy: -385.556329
where:
bonds (distance) C4'-P energy: -70.947
bonds (distance) P-C4' energy: -83.670
flat angles C4'-P-C4' energy: -76.426
flat angles P-C4'-P energy: -55.066
tors. eta vs tors. theta energy: -99.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1141.552887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.552887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.552887 (E_RNA)
where:
Base-Base interactions energy: -774.123
where: short stacking energy: -315.950
Base-Backbone interact. energy: -0.058
local terms energy: -367.370997
where:
bonds (distance) C4'-P energy: -68.011
bonds (distance) P-C4' energy: -68.743
flat angles C4'-P-C4' energy: -92.266
flat angles P-C4'-P energy: -40.468
tors. eta vs tors. theta energy: -97.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -739.183812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.183812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.183812 (E_RNA)
where:
Base-Base interactions energy: -454.650
where: short stacking energy: -179.617
Base-Backbone interact. energy: -1.323
local terms energy: -283.211032
where:
bonds (distance) C4'-P energy: -74.715
bonds (distance) P-C4' energy: -79.223
flat angles C4'-P-C4' energy: -61.027
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -30.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -726.794358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.794358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.794358 (E_RNA)
where:
Base-Base interactions energy: -443.151
where: short stacking energy: -186.302
Base-Backbone interact. energy: -1.119
local terms energy: -282.524455
where:
bonds (distance) C4'-P energy: -74.392
bonds (distance) P-C4' energy: -74.518
flat angles C4'-P-C4' energy: -69.880
flat angles P-C4'-P energy: -32.763
tors. eta vs tors. theta energy: -30.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -524.994290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.994290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.994290 (E_RNA)
where:
Base-Base interactions energy: -270.412
where: short stacking energy: -145.274
Base-Backbone interact. energy: -1.784
local terms energy: -252.799031
where:
bonds (distance) C4'-P energy: -79.004
bonds (distance) P-C4' energy: -65.423
flat angles C4'-P-C4' energy: -51.763
flat angles P-C4'-P energy: -38.835
tors. eta vs tors. theta energy: -17.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -324.488477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.488477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.488477 (E_RNA)
where:
Base-Base interactions energy: -83.620
where: short stacking energy: -71.220
Base-Backbone interact. energy: -0.887
local terms energy: -239.981386
where:
bonds (distance) C4'-P energy: -86.271
bonds (distance) P-C4' energy: -75.109
flat angles C4'-P-C4' energy: -56.118
flat angles P-C4'-P energy: -43.937
tors. eta vs tors. theta energy: 21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -323.464377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.464377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.464377 (E_RNA)
where:
Base-Base interactions energy: -130.365
where: short stacking energy: -83.726
Base-Backbone interact. energy: -2.127
local terms energy: -190.973164
where:
bonds (distance) C4'-P energy: -56.034
bonds (distance) P-C4' energy: -69.715
flat angles C4'-P-C4' energy: -54.064
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: 19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1429.299896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.299896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.299896 (E_RNA)
where:
Base-Base interactions energy: -985.928
where: short stacking energy: -415.923
Base-Backbone interact. energy: -1.551
local terms energy: -441.821284
where:
bonds (distance) C4'-P energy: -75.384
bonds (distance) P-C4' energy: -79.858
flat angles C4'-P-C4' energy: -98.771
flat angles P-C4'-P energy: -52.682
tors. eta vs tors. theta energy: -135.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1354.599100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.599100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.599100 (E_RNA)
where:
Base-Base interactions energy: -930.734
where: short stacking energy: -395.041
Base-Backbone interact. energy: -1.581
local terms energy: -422.283916
where:
bonds (distance) C4'-P energy: -76.241
bonds (distance) P-C4' energy: -76.383
flat angles C4'-P-C4' energy: -86.382
flat angles P-C4'-P energy: -57.341
tors. eta vs tors. theta energy: -125.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1226.636117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.636117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.636117 (E_RNA)
where:
Base-Base interactions energy: -829.569
where: short stacking energy: -342.657
Base-Backbone interact. energy: -1.634
local terms energy: -395.433237
where:
bonds (distance) C4'-P energy: -75.205
bonds (distance) P-C4' energy: -75.903
flat angles C4'-P-C4' energy: -81.197
flat angles P-C4'-P energy: -59.201
tors. eta vs tors. theta energy: -103.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1244.927328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.927328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.927328 (E_RNA)
where:
Base-Base interactions energy: -852.349
where: short stacking energy: -363.870
Base-Backbone interact. energy: 2.850
local terms energy: -395.428024
where:
bonds (distance) C4'-P energy: -66.489
bonds (distance) P-C4' energy: -79.842
flat angles C4'-P-C4' energy: -76.633
flat angles P-C4'-P energy: -57.098
tors. eta vs tors. theta energy: -115.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1144.342008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.342008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.342008 (E_RNA)
where:
Base-Base interactions energy: -775.122
where: short stacking energy: -304.364
Base-Backbone interact. energy: -0.514
local terms energy: -368.705549
where:
bonds (distance) C4'-P energy: -66.947
bonds (distance) P-C4' energy: -72.852
flat angles C4'-P-C4' energy: -81.214
flat angles P-C4'-P energy: -59.686
tors. eta vs tors. theta energy: -88.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -770.398606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.398606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.398606 (E_RNA)
where:
Base-Base interactions energy: -465.894
where: short stacking energy: -216.682
Base-Backbone interact. energy: -2.272
local terms energy: -302.233481
where:
bonds (distance) C4'-P energy: -76.510
bonds (distance) P-C4' energy: -66.048
flat angles C4'-P-C4' energy: -75.435
flat angles P-C4'-P energy: -41.204
tors. eta vs tors. theta energy: -43.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -670.928248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.928248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.928248 (E_RNA)
where:
Base-Base interactions energy: -398.731
where: short stacking energy: -181.488
Base-Backbone interact. energy: 1.343
local terms energy: -273.539907
where:
bonds (distance) C4'-P energy: -73.792
bonds (distance) P-C4' energy: -76.634
flat angles C4'-P-C4' energy: -69.150
flat angles P-C4'-P energy: -34.975
tors. eta vs tors. theta energy: -18.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -571.697364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.697364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.697364 (E_RNA)
where:
Base-Base interactions energy: -308.438
where: short stacking energy: -165.079
Base-Backbone interact. energy: -0.397
local terms energy: -262.862649
where:
bonds (distance) C4'-P energy: -73.631
bonds (distance) P-C4' energy: -66.464
flat angles C4'-P-C4' energy: -80.677
flat angles P-C4'-P energy: -31.966
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -359.659902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.659902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.659902 (E_RNA)
where:
Base-Base interactions energy: -127.433
where: short stacking energy: -95.640
Base-Backbone interact. energy: 0.447
local terms energy: -232.674125
where:
bonds (distance) C4'-P energy: -64.157
bonds (distance) P-C4' energy: -73.296
flat angles C4'-P-C4' energy: -61.979
flat angles P-C4'-P energy: -32.467
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -310.481138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.481138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.481138 (E_RNA)
where:
Base-Base interactions energy: -110.398
where: short stacking energy: -84.116
Base-Backbone interact. energy: 0.470
local terms energy: -200.553167
where:
bonds (distance) C4'-P energy: -65.450
bonds (distance) P-C4' energy: -68.793
flat angles C4'-P-C4' energy: -43.052
flat angles P-C4'-P energy: -34.110
tors. eta vs tors. theta energy: 10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1415.827561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.827561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.827561 (E_RNA)
where:
Base-Base interactions energy: -978.368
where: short stacking energy: -426.651
Base-Backbone interact. energy: -1.251
local terms energy: -436.208781
where:
bonds (distance) C4'-P energy: -73.833
bonds (distance) P-C4' energy: -81.906
flat angles C4'-P-C4' energy: -90.499
flat angles P-C4'-P energy: -62.879
tors. eta vs tors. theta energy: -127.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1342.956773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.956773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.956773 (E_RNA)
where:
Base-Base interactions energy: -931.327
where: short stacking energy: -381.913
Base-Backbone interact. energy: -0.768
local terms energy: -410.862265
where:
bonds (distance) C4'-P energy: -68.299
bonds (distance) P-C4' energy: -65.874
flat angles C4'-P-C4' energy: -87.818
flat angles P-C4'-P energy: -60.018
tors. eta vs tors. theta energy: -128.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1244.799609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.799609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.799609 (E_RNA)
where:
Base-Base interactions energy: -851.603
where: short stacking energy: -350.434
Base-Backbone interact. energy: 2.547
local terms energy: -395.743308
where:
bonds (distance) C4'-P energy: -72.581
bonds (distance) P-C4' energy: -79.362
flat angles C4'-P-C4' energy: -82.338
flat angles P-C4'-P energy: -63.398
tors. eta vs tors. theta energy: -98.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1247.755159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.755159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.755159 (E_RNA)
where:
Base-Base interactions energy: -846.560
where: short stacking energy: -354.478
Base-Backbone interact. energy: 0.914
local terms energy: -402.109236
where:
bonds (distance) C4'-P energy: -84.497
bonds (distance) P-C4' energy: -78.402
flat angles C4'-P-C4' energy: -89.521
flat angles P-C4'-P energy: -50.616
tors. eta vs tors. theta energy: -99.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1116.014407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.014407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.014407 (E_RNA)
where:
Base-Base interactions energy: -764.964
where: short stacking energy: -331.573
Base-Backbone interact. energy: -2.553
local terms energy: -348.497184
where:
bonds (distance) C4'-P energy: -67.823
bonds (distance) P-C4' energy: -58.339
flat angles C4'-P-C4' energy: -79.020
flat angles P-C4'-P energy: -46.099
tors. eta vs tors. theta energy: -97.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -832.085755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.085755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.085755 (E_RNA)
where:
Base-Base interactions energy: -507.971
where: short stacking energy: -231.177
Base-Backbone interact. energy: -2.381
local terms energy: -321.734184
where:
bonds (distance) C4'-P energy: -68.315
bonds (distance) P-C4' energy: -74.235
flat angles C4'-P-C4' energy: -87.101
flat angles P-C4'-P energy: -44.874
tors. eta vs tors. theta energy: -47.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -694.984502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.984502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.984502 (E_RNA)
where:
Base-Base interactions energy: -423.480
where: short stacking energy: -182.369
Base-Backbone interact. energy: -0.896
local terms energy: -270.608704
where:
bonds (distance) C4'-P energy: -56.431
bonds (distance) P-C4' energy: -72.451
flat angles C4'-P-C4' energy: -72.070
flat angles P-C4'-P energy: -44.582
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -597.775164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.775164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.775164 (E_RNA)
where:
Base-Base interactions energy: -319.307
where: short stacking energy: -193.182
Base-Backbone interact. energy: -0.387
local terms energy: -278.081551
where:
bonds (distance) C4'-P energy: -69.446
bonds (distance) P-C4' energy: -72.596
flat angles C4'-P-C4' energy: -54.679
flat angles P-C4'-P energy: -41.913
tors. eta vs tors. theta energy: -39.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -350.769308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.769308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.769308 (E_RNA)
where:
Base-Base interactions energy: -135.084
where: short stacking energy: -115.133
Base-Backbone interact. energy: 0.153
local terms energy: -215.837937
where:
bonds (distance) C4'-P energy: -70.684
bonds (distance) P-C4' energy: -65.674
flat angles C4'-P-C4' energy: -56.420
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: 3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -329.273183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.273183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.273183 (E_RNA)
where:
Base-Base interactions energy: -104.191
where: short stacking energy: -88.405
Base-Backbone interact. energy: 3.074
local terms energy: -228.156071
where:
bonds (distance) C4'-P energy: -59.641
bonds (distance) P-C4' energy: -75.984
flat angles C4'-P-C4' energy: -65.909
flat angles P-C4'-P energy: -33.831
tors. eta vs tors. theta energy: 7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1422.756859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.756859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.756859 (E_RNA)
where:
Base-Base interactions energy: -981.834
where: short stacking energy: -416.434
Base-Backbone interact. energy: -1.451
local terms energy: -439.471942
where:
bonds (distance) C4'-P energy: -80.192
bonds (distance) P-C4' energy: -71.872
flat angles C4'-P-C4' energy: -95.446
flat angles P-C4'-P energy: -62.665
tors. eta vs tors. theta energy: -129.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1328.654608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.654608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.654608 (E_RNA)
where:
Base-Base interactions energy: -905.387
where: short stacking energy: -363.803
Base-Backbone interact. energy: -1.000
local terms energy: -422.267398
where:
bonds (distance) C4'-P energy: -82.557
bonds (distance) P-C4' energy: -80.866
flat angles C4'-P-C4' energy: -86.485
flat angles P-C4'-P energy: -57.457
tors. eta vs tors. theta energy: -114.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1272.693466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.693466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.693466 (E_RNA)
where:
Base-Base interactions energy: -874.995
where: short stacking energy: -384.276
Base-Backbone interact. energy: -2.410
local terms energy: -395.288452
where:
bonds (distance) C4'-P energy: -76.122
bonds (distance) P-C4' energy: -80.140
flat angles C4'-P-C4' energy: -85.129
flat angles P-C4'-P energy: -47.507
tors. eta vs tors. theta energy: -106.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1240.252412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.252412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.252412 (E_RNA)
where:
Base-Base interactions energy: -866.190
where: short stacking energy: -335.516
Base-Backbone interact. energy: 1.350
local terms energy: -375.412601
where:
bonds (distance) C4'-P energy: -65.319
bonds (distance) P-C4' energy: -71.134
flat angles C4'-P-C4' energy: -79.329
flat angles P-C4'-P energy: -59.492
tors. eta vs tors. theta energy: -100.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1155.523136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.523136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.523136 (E_RNA)
where:
Base-Base interactions energy: -808.876
where: short stacking energy: -342.171
Base-Backbone interact. energy: -1.769
local terms energy: -344.877966
where:
bonds (distance) C4'-P energy: -66.021
bonds (distance) P-C4' energy: -61.678
flat angles C4'-P-C4' energy: -76.328
flat angles P-C4'-P energy: -44.397
tors. eta vs tors. theta energy: -96.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -809.421808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.421808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.421808 (E_RNA)
where:
Base-Base interactions energy: -527.680
where: short stacking energy: -227.711
Base-Backbone interact. energy: -0.526
local terms energy: -281.215734
where:
bonds (distance) C4'-P energy: -65.930
bonds (distance) P-C4' energy: -63.462
flat angles C4'-P-C4' energy: -57.036
flat angles P-C4'-P energy: -41.988
tors. eta vs tors. theta energy: -52.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -681.793903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.793903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.793903 (E_RNA)
where:
Base-Base interactions energy: -376.061
where: short stacking energy: -215.784
Base-Backbone interact. energy: -2.116
local terms energy: -303.617145
where:
bonds (distance) C4'-P energy: -58.938
bonds (distance) P-C4' energy: -73.198
flat angles C4'-P-C4' energy: -66.759
flat angles P-C4'-P energy: -48.302
tors. eta vs tors. theta energy: -56.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -635.892577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.892577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.892577 (E_RNA)
where:
Base-Base interactions energy: -373.092
where: short stacking energy: -180.084
Base-Backbone interact. energy: 1.326
local terms energy: -264.126564
where:
bonds (distance) C4'-P energy: -77.501
bonds (distance) P-C4' energy: -79.685
flat angles C4'-P-C4' energy: -54.710
flat angles P-C4'-P energy: -36.256
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -346.797725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.797725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.797725 (E_RNA)
where:
Base-Base interactions energy: -134.828
where: short stacking energy: -93.132
Base-Backbone interact. energy: -1.516
local terms energy: -210.453869
where:
bonds (distance) C4'-P energy: -65.309
bonds (distance) P-C4' energy: -73.546
flat angles C4'-P-C4' energy: -57.805
flat angles P-C4'-P energy: -28.908
tors. eta vs tors. theta energy: 15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -331.475044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.475044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.475044 (E_RNA)
where:
Base-Base interactions energy: -125.680
where: short stacking energy: -100.471
Base-Backbone interact. energy: 0.961
local terms energy: -206.756334
where:
bonds (distance) C4'-P energy: -64.211
bonds (distance) P-C4' energy: -67.967
flat angles C4'-P-C4' energy: -56.042
flat angles P-C4'-P energy: -34.541
tors. eta vs tors. theta energy: 16.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1405.395970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.395970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.395970 (E_RNA)
where:
Base-Base interactions energy: -974.632
where: short stacking energy: -423.830
Base-Backbone interact. energy: -0.958
local terms energy: -429.806174
where:
bonds (distance) C4'-P energy: -75.670
bonds (distance) P-C4' energy: -86.220
flat angles C4'-P-C4' energy: -88.738
flat angles P-C4'-P energy: -54.581
tors. eta vs tors. theta energy: -124.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1330.464961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.464961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.464961 (E_RNA)
where:
Base-Base interactions energy: -910.457
where: short stacking energy: -394.168
Base-Backbone interact. energy: -2.501
local terms energy: -417.507064
where:
bonds (distance) C4'-P energy: -73.172
bonds (distance) P-C4' energy: -71.801
flat angles C4'-P-C4' energy: -90.068
flat angles P-C4'-P energy: -58.566
tors. eta vs tors. theta energy: -123.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1277.647489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.647489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.647489 (E_RNA)
where:
Base-Base interactions energy: -853.128
where: short stacking energy: -364.380
Base-Backbone interact. energy: -2.303
local terms energy: -422.216781
where:
bonds (distance) C4'-P energy: -88.078
bonds (distance) P-C4' energy: -80.205
flat angles C4'-P-C4' energy: -84.397
flat angles P-C4'-P energy: -63.114
tors. eta vs tors. theta energy: -106.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1231.575144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.575144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.575144 (E_RNA)
where:
Base-Base interactions energy: -849.749
where: short stacking energy: -357.308
Base-Backbone interact. energy: 0.147
local terms energy: -381.972964
where:
bonds (distance) C4'-P energy: -63.252
bonds (distance) P-C4' energy: -79.376
flat angles C4'-P-C4' energy: -79.335
flat angles P-C4'-P energy: -52.439
tors. eta vs tors. theta energy: -107.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1155.701645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.701645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.701645 (E_RNA)
where:
Base-Base interactions energy: -789.581
where: short stacking energy: -350.293
Base-Backbone interact. energy: -0.157
local terms energy: -365.963148
where:
bonds (distance) C4'-P energy: -61.278
bonds (distance) P-C4' energy: -64.837
flat angles C4'-P-C4' energy: -89.981
flat angles P-C4'-P energy: -52.767
tors. eta vs tors. theta energy: -97.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -695.017464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.017464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.017464 (E_RNA)
where:
Base-Base interactions energy: -381.788
where: short stacking energy: -185.324
Base-Backbone interact. energy: -2.519
local terms energy: -310.710983
where:
bonds (distance) C4'-P energy: -69.756
bonds (distance) P-C4' energy: -83.813
flat angles C4'-P-C4' energy: -79.308
flat angles P-C4'-P energy: -48.368
tors. eta vs tors. theta energy: -29.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -758.094104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.094104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.094104 (E_RNA)
where:
Base-Base interactions energy: -473.204
where: short stacking energy: -192.218
Base-Backbone interact. energy: 0.045
local terms energy: -284.935237
where:
bonds (distance) C4'-P energy: -70.639
bonds (distance) P-C4' energy: -71.727
flat angles C4'-P-C4' energy: -78.254
flat angles P-C4'-P energy: -19.604
tors. eta vs tors. theta energy: -44.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -642.843109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.843109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.843109 (E_RNA)
where:
Base-Base interactions energy: -383.483
where: short stacking energy: -205.329
Base-Backbone interact. energy: -0.689
local terms energy: -258.670164
where:
bonds (distance) C4'-P energy: -61.233
bonds (distance) P-C4' energy: -65.690
flat angles C4'-P-C4' energy: -48.506
flat angles P-C4'-P energy: -45.193
tors. eta vs tors. theta energy: -38.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -367.459328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.459328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.459328 (E_RNA)
where:
Base-Base interactions energy: -137.705
where: short stacking energy: -104.928
Base-Backbone interact. energy: 0.513
local terms energy: -230.267748
where:
bonds (distance) C4'-P energy: -65.432
bonds (distance) P-C4' energy: -70.662
flat angles C4'-P-C4' energy: -67.524
flat angles P-C4'-P energy: -30.424
tors. eta vs tors. theta energy: 3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -327.013392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.013392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.013392 (E_RNA)
where:
Base-Base interactions energy: -132.307
where: short stacking energy: -95.390
Base-Backbone interact. energy: 3.503
local terms energy: -198.209398
where:
bonds (distance) C4'-P energy: -81.169
bonds (distance) P-C4' energy: -51.303
flat angles C4'-P-C4' energy: -48.516
flat angles P-C4'-P energy: -37.699
tors. eta vs tors. theta energy: 20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1409.084186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.084186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.084186 (E_RNA)
where:
Base-Base interactions energy: -981.045
where: short stacking energy: -413.229
Base-Backbone interact. energy: -1.303
local terms energy: -426.735523
where:
bonds (distance) C4'-P energy: -81.310
bonds (distance) P-C4' energy: -75.339
flat angles C4'-P-C4' energy: -89.729
flat angles P-C4'-P energy: -52.725
tors. eta vs tors. theta energy: -127.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1326.297054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.297054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.297054 (E_RNA)
where:
Base-Base interactions energy: -905.440
where: short stacking energy: -375.320
Base-Backbone interact. energy: -1.459
local terms energy: -419.398290
where:
bonds (distance) C4'-P energy: -75.309
bonds (distance) P-C4' energy: -76.749
flat angles C4'-P-C4' energy: -92.537
flat angles P-C4'-P energy: -56.278
tors. eta vs tors. theta energy: -118.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1266.942549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.942549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.942549 (E_RNA)
where:
Base-Base interactions energy: -862.665
where: short stacking energy: -359.346
Base-Backbone interact. energy: -2.208
local terms energy: -402.068809
where:
bonds (distance) C4'-P energy: -73.577
bonds (distance) P-C4' energy: -81.934
flat angles C4'-P-C4' energy: -77.624
flat angles P-C4'-P energy: -62.889
tors. eta vs tors. theta energy: -106.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1214.423830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.423830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.423830 (E_RNA)
where:
Base-Base interactions energy: -850.551
where: short stacking energy: -335.175
Base-Backbone interact. energy: -1.017
local terms energy: -362.855521
where:
bonds (distance) C4'-P energy: -70.968
bonds (distance) P-C4' energy: -80.609
flat angles C4'-P-C4' energy: -72.255
flat angles P-C4'-P energy: -49.229
tors. eta vs tors. theta energy: -89.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1142.096509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.096509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.096509 (E_RNA)
where:
Base-Base interactions energy: -782.417
where: short stacking energy: -338.362
Base-Backbone interact. energy: -3.073
local terms energy: -356.606408
where:
bonds (distance) C4'-P energy: -71.193
bonds (distance) P-C4' energy: -59.218
flat angles C4'-P-C4' energy: -73.550
flat angles P-C4'-P energy: -54.034
tors. eta vs tors. theta energy: -98.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -740.290954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.290954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.290954 (E_RNA)
where:
Base-Base interactions energy: -422.415
where: short stacking energy: -227.242
Base-Backbone interact. energy: -1.277
local terms energy: -316.599655
where:
bonds (distance) C4'-P energy: -73.366
bonds (distance) P-C4' energy: -71.312
flat angles C4'-P-C4' energy: -68.276
flat angles P-C4'-P energy: -50.196
tors. eta vs tors. theta energy: -53.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -756.575676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.575676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.575676 (E_RNA)
where:
Base-Base interactions energy: -469.706
where: short stacking energy: -218.830
Base-Backbone interact. energy: -1.813
local terms energy: -285.057131
where:
bonds (distance) C4'-P energy: -73.290
bonds (distance) P-C4' energy: -68.855
flat angles C4'-P-C4' energy: -55.829
flat angles P-C4'-P energy: -39.544
tors. eta vs tors. theta energy: -47.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -615.230696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.230696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.230696 (E_RNA)
where:
Base-Base interactions energy: -351.896
where: short stacking energy: -160.087
Base-Backbone interact. energy: 2.874
local terms energy: -266.208256
where:
bonds (distance) C4'-P energy: -64.233
bonds (distance) P-C4' energy: -71.019
flat angles C4'-P-C4' energy: -51.124
flat angles P-C4'-P energy: -57.971
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -350.868064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.868064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.868064 (E_RNA)
where:
Base-Base interactions energy: -118.671
where: short stacking energy: -83.884
Base-Backbone interact. energy: -0.371
local terms energy: -231.826064
where:
bonds (distance) C4'-P energy: -75.592
bonds (distance) P-C4' energy: -78.178
flat angles C4'-P-C4' energy: -56.626
flat angles P-C4'-P energy: -20.991
tors. eta vs tors. theta energy: -0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -316.851824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.851824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.851824 (E_RNA)
where:
Base-Base interactions energy: -104.508
where: short stacking energy: -94.485
Base-Backbone interact. energy: -1.406
local terms energy: -210.937634
where:
bonds (distance) C4'-P energy: -73.966
bonds (distance) P-C4' energy: -72.587
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: 15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1404.245488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.245488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.245488 (E_RNA)
where:
Base-Base interactions energy: -962.868
where: short stacking energy: -409.066
Base-Backbone interact. energy: -0.549
local terms energy: -440.829008
where:
bonds (distance) C4'-P energy: -76.235
bonds (distance) P-C4' energy: -82.290
flat angles C4'-P-C4' energy: -93.648
flat angles P-C4'-P energy: -60.963
tors. eta vs tors. theta energy: -127.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1318.733935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.733935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.733935 (E_RNA)
where:
Base-Base interactions energy: -888.673
where: short stacking energy: -380.111
Base-Backbone interact. energy: -1.006
local terms energy: -429.054492
where:
bonds (distance) C4'-P energy: -69.470
bonds (distance) P-C4' energy: -74.867
flat angles C4'-P-C4' energy: -89.819
flat angles P-C4'-P energy: -70.227
tors. eta vs tors. theta energy: -124.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1237.220386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.220386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.220386 (E_RNA)
where:
Base-Base interactions energy: -831.532
where: short stacking energy: -372.349
Base-Backbone interact. energy: 0.494
local terms energy: -406.182495
where:
bonds (distance) C4'-P energy: -78.794
bonds (distance) P-C4' energy: -78.532
flat angles C4'-P-C4' energy: -85.744
flat angles P-C4'-P energy: -56.961
tors. eta vs tors. theta energy: -106.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1218.367281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.367281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.367281 (E_RNA)
where:
Base-Base interactions energy: -819.526
where: short stacking energy: -342.256
Base-Backbone interact. energy: 2.443
local terms energy: -401.284118
where:
bonds (distance) C4'-P energy: -77.047
bonds (distance) P-C4' energy: -83.725
flat angles C4'-P-C4' energy: -83.730
flat angles P-C4'-P energy: -60.865
tors. eta vs tors. theta energy: -95.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1142.620795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.620795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.620795 (E_RNA)
where:
Base-Base interactions energy: -769.583
where: short stacking energy: -325.852
Base-Backbone interact. energy: 0.640
local terms energy: -373.677931
where:
bonds (distance) C4'-P energy: -82.671
bonds (distance) P-C4' energy: -56.241
flat angles C4'-P-C4' energy: -73.587
flat angles P-C4'-P energy: -56.820
tors. eta vs tors. theta energy: -104.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -762.604104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.604104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.604104 (E_RNA)
where:
Base-Base interactions energy: -457.221
where: short stacking energy: -200.803
Base-Backbone interact. energy: -2.296
local terms energy: -303.086447
where:
bonds (distance) C4'-P energy: -71.415
bonds (distance) P-C4' energy: -70.219
flat angles C4'-P-C4' energy: -63.044
flat angles P-C4'-P energy: -55.435
tors. eta vs tors. theta energy: -42.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -670.831577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.831577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.831577 (E_RNA)
where:
Base-Base interactions energy: -379.029
where: short stacking energy: -212.851
Base-Backbone interact. energy: -0.902
local terms energy: -290.900270
where:
bonds (distance) C4'-P energy: -54.251
bonds (distance) P-C4' energy: -73.164
flat angles C4'-P-C4' energy: -61.453
flat angles P-C4'-P energy: -54.421
tors. eta vs tors. theta energy: -47.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -614.237370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.237370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.237370 (E_RNA)
where:
Base-Base interactions energy: -348.000
where: short stacking energy: -161.145
Base-Backbone interact. energy: -1.594
local terms energy: -264.643355
where:
bonds (distance) C4'-P energy: -65.432
bonds (distance) P-C4' energy: -67.885
flat angles C4'-P-C4' energy: -64.392
flat angles P-C4'-P energy: -38.335
tors. eta vs tors. theta energy: -28.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -330.100237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.100237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.100237 (E_RNA)
where:
Base-Base interactions energy: -124.090
where: short stacking energy: -112.757
Base-Backbone interact. energy: 2.832
local terms energy: -208.841971
where:
bonds (distance) C4'-P energy: -69.391
bonds (distance) P-C4' energy: -69.207
flat angles C4'-P-C4' energy: -53.576
flat angles P-C4'-P energy: -37.708
tors. eta vs tors. theta energy: 21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -315.073639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.073639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.073639 (E_RNA)
where:
Base-Base interactions energy: -98.614
where: short stacking energy: -69.860
Base-Backbone interact. energy: -1.979
local terms energy: -214.480114
where:
bonds (distance) C4'-P energy: -56.024
bonds (distance) P-C4' energy: -71.342
flat angles C4'-P-C4' energy: -63.962
flat angles P-C4'-P energy: -41.817
tors. eta vs tors. theta energy: 18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1396.458660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.458660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.458660 (E_RNA)
where:
Base-Base interactions energy: -945.401
where: short stacking energy: -396.144
Base-Backbone interact. energy: -0.955
local terms energy: -450.103284
where:
bonds (distance) C4'-P energy: -81.795
bonds (distance) P-C4' energy: -85.737
flat angles C4'-P-C4' energy: -97.824
flat angles P-C4'-P energy: -63.289
tors. eta vs tors. theta energy: -121.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1326.665398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.665398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.665398 (E_RNA)
where:
Base-Base interactions energy: -910.970
where: short stacking energy: -378.497
Base-Backbone interact. energy: -2.190
local terms energy: -413.505392
where:
bonds (distance) C4'-P energy: -65.696
bonds (distance) P-C4' energy: -73.744
flat angles C4'-P-C4' energy: -90.826
flat angles P-C4'-P energy: -60.647
tors. eta vs tors. theta energy: -122.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1260.643100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.643100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.643100 (E_RNA)
where:
Base-Base interactions energy: -851.531
where: short stacking energy: -371.670
Base-Backbone interact. energy: 3.479
local terms energy: -412.591354
where:
bonds (distance) C4'-P energy: -74.468
bonds (distance) P-C4' energy: -80.171
flat angles C4'-P-C4' energy: -89.144
flat angles P-C4'-P energy: -65.166
tors. eta vs tors. theta energy: -103.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1217.671998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.671998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.671998 (E_RNA)
where:
Base-Base interactions energy: -826.624
where: short stacking energy: -338.581
Base-Backbone interact. energy: -1.812
local terms energy: -389.235088
where:
bonds (distance) C4'-P energy: -69.857
bonds (distance) P-C4' energy: -82.263
flat angles C4'-P-C4' energy: -87.040
flat angles P-C4'-P energy: -52.627
tors. eta vs tors. theta energy: -97.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1131.591310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.591310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.591310 (E_RNA)
where:
Base-Base interactions energy: -772.609
where: short stacking energy: -335.437
Base-Backbone interact. energy: 2.421
local terms energy: -361.403366
where:
bonds (distance) C4'-P energy: -81.313
bonds (distance) P-C4' energy: -69.176
flat angles C4'-P-C4' energy: -82.532
flat angles P-C4'-P energy: -35.201
tors. eta vs tors. theta energy: -93.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -870.011280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.011280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.011280 (E_RNA)
where:
Base-Base interactions energy: -560.719
where: short stacking energy: -226.238
Base-Backbone interact. energy: -1.922
local terms energy: -307.370687
where:
bonds (distance) C4'-P energy: -81.040
bonds (distance) P-C4' energy: -73.950
flat angles C4'-P-C4' energy: -63.897
flat angles P-C4'-P energy: -43.163
tors. eta vs tors. theta energy: -45.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -690.516025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.516025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.516025 (E_RNA)
where:
Base-Base interactions energy: -403.340
where: short stacking energy: -196.180
Base-Backbone interact. energy: 0.173
local terms energy: -287.349295
where:
bonds (distance) C4'-P energy: -78.048
bonds (distance) P-C4' energy: -70.350
flat angles C4'-P-C4' energy: -64.618
flat angles P-C4'-P energy: -29.847
tors. eta vs tors. theta energy: -44.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -594.263629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.263629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.263629 (E_RNA)
where:
Base-Base interactions energy: -314.626
where: short stacking energy: -159.424
Base-Backbone interact. energy: 3.435
local terms energy: -283.072445
where:
bonds (distance) C4'-P energy: -73.538
bonds (distance) P-C4' energy: -85.580
flat angles C4'-P-C4' energy: -61.396
flat angles P-C4'-P energy: -32.144
tors. eta vs tors. theta energy: -30.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -335.622642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.622642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.622642 (E_RNA)
where:
Base-Base interactions energy: -98.446
where: short stacking energy: -76.595
Base-Backbone interact. energy: 0.557
local terms energy: -237.733414
where:
bonds (distance) C4'-P energy: -69.091
bonds (distance) P-C4' energy: -67.034
flat angles C4'-P-C4' energy: -67.756
flat angles P-C4'-P energy: -40.050
tors. eta vs tors. theta energy: 6.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -311.086038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.086038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.086038 (E_RNA)
where:
Base-Base interactions energy: -123.937
where: short stacking energy: -76.864
Base-Backbone interact. energy: 0.473
local terms energy: -187.621910
where:
bonds (distance) C4'-P energy: -55.024
bonds (distance) P-C4' energy: -67.024
flat angles C4'-P-C4' energy: -37.812
flat angles P-C4'-P energy: -37.416
tors. eta vs tors. theta energy: 9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1392.480086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.480086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.480086 (E_RNA)
where:
Base-Base interactions energy: -955.222
where: short stacking energy: -398.963
Base-Backbone interact. energy: -1.807
local terms energy: -435.450919
where:
bonds (distance) C4'-P energy: -80.304
bonds (distance) P-C4' energy: -78.834
flat angles C4'-P-C4' energy: -85.997
flat angles P-C4'-P energy: -67.809
tors. eta vs tors. theta energy: -122.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1343.813694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.813694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.813694 (E_RNA)
where:
Base-Base interactions energy: -911.310
where: short stacking energy: -395.934
Base-Backbone interact. energy: -2.861
local terms energy: -429.641785
where:
bonds (distance) C4'-P energy: -72.748
bonds (distance) P-C4' energy: -76.484
flat angles C4'-P-C4' energy: -89.444
flat angles P-C4'-P energy: -60.990
tors. eta vs tors. theta energy: -129.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1239.905578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.905578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.905578 (E_RNA)
where:
Base-Base interactions energy: -849.309
where: short stacking energy: -348.265
Base-Backbone interact. energy: -1.738
local terms energy: -388.858026
where:
bonds (distance) C4'-P energy: -61.571
bonds (distance) P-C4' energy: -80.555
flat angles C4'-P-C4' energy: -78.893
flat angles P-C4'-P energy: -59.319
tors. eta vs tors. theta energy: -108.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1150.146606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.146606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.146606 (E_RNA)
where:
Base-Base interactions energy: -776.868
where: short stacking energy: -337.303
Base-Backbone interact. energy: 1.637
local terms energy: -374.915911
where:
bonds (distance) C4'-P energy: -74.496
bonds (distance) P-C4' energy: -78.812
flat angles C4'-P-C4' energy: -85.341
flat angles P-C4'-P energy: -47.482
tors. eta vs tors. theta energy: -88.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1132.507218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.507218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.507218 (E_RNA)
where:
Base-Base interactions energy: -781.402
where: short stacking energy: -321.839
Base-Backbone interact. energy: -2.513
local terms energy: -348.592215
where:
bonds (distance) C4'-P energy: -77.392
bonds (distance) P-C4' energy: -60.460
flat angles C4'-P-C4' energy: -75.668
flat angles P-C4'-P energy: -51.234
tors. eta vs tors. theta energy: -83.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -845.202266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.202266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.202266 (E_RNA)
where:
Base-Base interactions energy: -529.486
where: short stacking energy: -231.162
Base-Backbone interact. energy: 3.334
local terms energy: -319.050382
where:
bonds (distance) C4'-P energy: -70.134
bonds (distance) P-C4' energy: -66.687
flat angles C4'-P-C4' energy: -72.939
flat angles P-C4'-P energy: -46.619
tors. eta vs tors. theta energy: -62.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -697.737993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.737993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.737993 (E_RNA)
where:
Base-Base interactions energy: -411.489
where: short stacking energy: -195.025
Base-Backbone interact. energy: -0.819
local terms energy: -285.429704
where:
bonds (distance) C4'-P energy: -65.365
bonds (distance) P-C4' energy: -71.099
flat angles C4'-P-C4' energy: -53.154
flat angles P-C4'-P energy: -46.827
tors. eta vs tors. theta energy: -48.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -565.729449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.729449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.729449 (E_RNA)
where:
Base-Base interactions energy: -329.338
where: short stacking energy: -160.515
Base-Backbone interact. energy: 6.150
local terms energy: -242.541660
where:
bonds (distance) C4'-P energy: -54.976
bonds (distance) P-C4' energy: -63.165
flat angles C4'-P-C4' energy: -65.253
flat angles P-C4'-P energy: -41.627
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -355.613620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.613620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.613620 (E_RNA)
where:
Base-Base interactions energy: -135.206
where: short stacking energy: -113.524
Base-Backbone interact. energy: -1.808
local terms energy: -218.599429
where:
bonds (distance) C4'-P energy: -47.755
bonds (distance) P-C4' energy: -69.631
flat angles C4'-P-C4' energy: -69.665
flat angles P-C4'-P energy: -42.616
tors. eta vs tors. theta energy: 11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -304.892137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.892137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.892137 (E_RNA)
where:
Base-Base interactions energy: -97.074
where: short stacking energy: -84.870
Base-Backbone interact. energy: -1.546
local terms energy: -206.271601
where:
bonds (distance) C4'-P energy: -62.747
bonds (distance) P-C4' energy: -66.603
flat angles C4'-P-C4' energy: -62.128
flat angles P-C4'-P energy: -31.635
tors. eta vs tors. theta energy: 16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1401.607538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.607538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.607538 (E_RNA)
where:
Base-Base interactions energy: -972.917
where: short stacking energy: -403.552
Base-Backbone interact. energy: -1.263
local terms energy: -427.428035
where:
bonds (distance) C4'-P energy: -73.114
bonds (distance) P-C4' energy: -74.193
flat angles C4'-P-C4' energy: -86.171
flat angles P-C4'-P energy: -71.768
tors. eta vs tors. theta energy: -122.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1329.974960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.974960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.974960 (E_RNA)
where:
Base-Base interactions energy: -907.181
where: short stacking energy: -396.827
Base-Backbone interact. energy: -0.083
local terms energy: -422.711265
where:
bonds (distance) C4'-P energy: -83.390
bonds (distance) P-C4' energy: -69.452
flat angles C4'-P-C4' energy: -91.613
flat angles P-C4'-P energy: -62.273
tors. eta vs tors. theta energy: -115.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1273.344184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.344184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.344184 (E_RNA)
where:
Base-Base interactions energy: -862.977
where: short stacking energy: -361.197
Base-Backbone interact. energy: -1.638
local terms energy: -408.729061
where:
bonds (distance) C4'-P energy: -65.809
bonds (distance) P-C4' energy: -90.669
flat angles C4'-P-C4' energy: -89.078
flat angles P-C4'-P energy: -58.431
tors. eta vs tors. theta energy: -104.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1156.564089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.564089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.564089 (E_RNA)
where:
Base-Base interactions energy: -760.082
where: short stacking energy: -333.449
Base-Backbone interact. energy: 0.209
local terms energy: -396.690591
where:
bonds (distance) C4'-P energy: -75.501
bonds (distance) P-C4' energy: -77.949
flat angles C4'-P-C4' energy: -82.660
flat angles P-C4'-P energy: -62.802
tors. eta vs tors. theta energy: -97.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1139.218158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.218158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.218158 (E_RNA)
where:
Base-Base interactions energy: -765.978
where: short stacking energy: -331.106
Base-Backbone interact. energy: -0.861
local terms energy: -372.379884
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -69.441
flat angles C4'-P-C4' energy: -92.547
flat angles P-C4'-P energy: -61.675
tors. eta vs tors. theta energy: -93.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -853.487715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.487715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.487715 (E_RNA)
where:
Base-Base interactions energy: -555.777
where: short stacking energy: -230.806
Base-Backbone interact. energy: 0.011
local terms energy: -297.722045
where:
bonds (distance) C4'-P energy: -57.248
bonds (distance) P-C4' energy: -66.694
flat angles C4'-P-C4' energy: -87.808
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: -46.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -649.431207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.431207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.431207 (E_RNA)
where:
Base-Base interactions energy: -373.359
where: short stacking energy: -198.569
Base-Backbone interact. energy: -0.542
local terms energy: -275.530069
where:
bonds (distance) C4'-P energy: -67.024
bonds (distance) P-C4' energy: -50.885
flat angles C4'-P-C4' energy: -71.578
flat angles P-C4'-P energy: -52.782
tors. eta vs tors. theta energy: -33.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -647.918961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.918961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.918961 (E_RNA)
where:
Base-Base interactions energy: -375.959
where: short stacking energy: -159.016
Base-Backbone interact. energy: -1.878
local terms energy: -270.081952
where:
bonds (distance) C4'-P energy: -65.036
bonds (distance) P-C4' energy: -78.754
flat angles C4'-P-C4' energy: -64.478
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -24.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -417.853373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.853373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.853373 (E_RNA)
where:
Base-Base interactions energy: -202.230
where: short stacking energy: -106.793
Base-Backbone interact. energy: 1.498
local terms energy: -217.121619
where:
bonds (distance) C4'-P energy: -62.383
bonds (distance) P-C4' energy: -65.635
flat angles C4'-P-C4' energy: -53.788
flat angles P-C4'-P energy: -33.916
tors. eta vs tors. theta energy: -1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -346.243281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.243281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.243281 (E_RNA)
where:
Base-Base interactions energy: -100.137
where: short stacking energy: -95.173
Base-Backbone interact. energy: -0.227
local terms energy: -245.879516
where:
bonds (distance) C4'-P energy: -65.233
bonds (distance) P-C4' energy: -69.120
flat angles C4'-P-C4' energy: -56.031
flat angles P-C4'-P energy: -54.266
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1431.500256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.500256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.500256 (E_RNA)
where:
Base-Base interactions energy: -976.101
where: short stacking energy: -420.339
Base-Backbone interact. energy: -1.623
local terms energy: -453.776162
where:
bonds (distance) C4'-P energy: -79.180
bonds (distance) P-C4' energy: -84.918
flat angles C4'-P-C4' energy: -92.383
flat angles P-C4'-P energy: -61.776
tors. eta vs tors. theta energy: -135.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1317.427461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.427461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.427461 (E_RNA)
where:
Base-Base interactions energy: -922.842
where: short stacking energy: -393.169
Base-Backbone interact. energy: -1.865
local terms energy: -392.720823
where:
bonds (distance) C4'-P energy: -72.969
bonds (distance) P-C4' energy: -68.463
flat angles C4'-P-C4' energy: -83.478
flat angles P-C4'-P energy: -52.913
tors. eta vs tors. theta energy: -114.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1232.190908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.190908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.190908 (E_RNA)
where:
Base-Base interactions energy: -852.049
where: short stacking energy: -358.653
Base-Backbone interact. energy: -1.900
local terms energy: -378.241531
where:
bonds (distance) C4'-P energy: -69.852
bonds (distance) P-C4' energy: -71.300
flat angles C4'-P-C4' energy: -82.971
flat angles P-C4'-P energy: -53.361
tors. eta vs tors. theta energy: -100.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1150.314551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.314551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.314551 (E_RNA)
where:
Base-Base interactions energy: -777.807
where: short stacking energy: -327.481
Base-Backbone interact. energy: 2.466
local terms energy: -374.973719
where:
bonds (distance) C4'-P energy: -77.725
bonds (distance) P-C4' energy: -63.730
flat angles C4'-P-C4' energy: -84.339
flat angles P-C4'-P energy: -53.563
tors. eta vs tors. theta energy: -95.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1118.092408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.092408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.092408 (E_RNA)
where:
Base-Base interactions energy: -766.335
where: short stacking energy: -310.882
Base-Backbone interact. energy: -2.524
local terms energy: -349.233237
where:
bonds (distance) C4'-P energy: -62.242
bonds (distance) P-C4' energy: -80.197
flat angles C4'-P-C4' energy: -71.200
flat angles P-C4'-P energy: -64.494
tors. eta vs tors. theta energy: -71.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -874.218305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.218305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.218305 (E_RNA)
where:
Base-Base interactions energy: -557.034
where: short stacking energy: -236.017
Base-Backbone interact. energy: -0.036
local terms energy: -317.148725
where:
bonds (distance) C4'-P energy: -72.102
bonds (distance) P-C4' energy: -57.064
flat angles C4'-P-C4' energy: -71.252
flat angles P-C4'-P energy: -57.410
tors. eta vs tors. theta energy: -59.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -619.804508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.804508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.804508 (E_RNA)
where:
Base-Base interactions energy: -354.958
where: short stacking energy: -168.139
Base-Backbone interact. energy: -0.861
local terms energy: -263.985649
where:
bonds (distance) C4'-P energy: -72.591
bonds (distance) P-C4' energy: -70.646
flat angles C4'-P-C4' energy: -65.428
flat angles P-C4'-P energy: -33.020
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -642.345441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.345441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.345441 (E_RNA)
where:
Base-Base interactions energy: -363.567
where: short stacking energy: -183.303
Base-Backbone interact. energy: 0.711
local terms energy: -279.489071
where:
bonds (distance) C4'-P energy: -70.983
bonds (distance) P-C4' energy: -77.692
flat angles C4'-P-C4' energy: -56.648
flat angles P-C4'-P energy: -48.369
tors. eta vs tors. theta energy: -25.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -441.355770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.355770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.355770 (E_RNA)
where:
Base-Base interactions energy: -201.102
where: short stacking energy: -110.229
Base-Backbone interact. energy: -0.192
local terms energy: -240.062126
where:
bonds (distance) C4'-P energy: -70.732
bonds (distance) P-C4' energy: -75.489
flat angles C4'-P-C4' energy: -51.952
flat angles P-C4'-P energy: -35.984
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -352.607822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.607822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.607822 (E_RNA)
where:
Base-Base interactions energy: -134.834
where: short stacking energy: -94.418
Base-Backbone interact. energy: -0.284
local terms energy: -217.489118
where:
bonds (distance) C4'-P energy: -61.482
bonds (distance) P-C4' energy: -63.607
flat angles C4'-P-C4' energy: -64.680
flat angles P-C4'-P energy: -32.456
tors. eta vs tors. theta energy: 4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1411.000595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.000595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.000595 (E_RNA)
where:
Base-Base interactions energy: -969.919
where: short stacking energy: -405.425
Base-Backbone interact. energy: -0.695
local terms energy: -440.387520
where:
bonds (distance) C4'-P energy: -78.628
bonds (distance) P-C4' energy: -77.938
flat angles C4'-P-C4' energy: -92.661
flat angles P-C4'-P energy: -59.207
tors. eta vs tors. theta energy: -131.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1334.519161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.519161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.519161 (E_RNA)
where:
Base-Base interactions energy: -909.479
where: short stacking energy: -384.400
Base-Backbone interact. energy: -2.027
local terms energy: -423.012347
where:
bonds (distance) C4'-P energy: -79.886
bonds (distance) P-C4' energy: -78.881
flat angles C4'-P-C4' energy: -83.765
flat angles P-C4'-P energy: -58.786
tors. eta vs tors. theta energy: -121.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1270.165475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.165475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.165475 (E_RNA)
where:
Base-Base interactions energy: -861.426
where: short stacking energy: -372.805
Base-Backbone interact. energy: -1.757
local terms energy: -406.982495
where:
bonds (distance) C4'-P energy: -78.893
bonds (distance) P-C4' energy: -77.379
flat angles C4'-P-C4' energy: -86.200
flat angles P-C4'-P energy: -57.432
tors. eta vs tors. theta energy: -107.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1157.852577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.852577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.852577 (E_RNA)
where:
Base-Base interactions energy: -750.343
where: short stacking energy: -316.937
Base-Backbone interact. energy: -0.210
local terms energy: -407.299851
where:
bonds (distance) C4'-P energy: -83.541
bonds (distance) P-C4' energy: -74.279
flat angles C4'-P-C4' energy: -85.410
flat angles P-C4'-P energy: -61.016
tors. eta vs tors. theta energy: -103.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1119.294589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.294589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.294589 (E_RNA)
where:
Base-Base interactions energy: -775.376
where: short stacking energy: -310.856
Base-Backbone interact. energy: -0.576
local terms energy: -343.342781
where:
bonds (distance) C4'-P energy: -59.262
bonds (distance) P-C4' energy: -62.694
flat angles C4'-P-C4' energy: -84.535
flat angles P-C4'-P energy: -44.776
tors. eta vs tors. theta energy: -92.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -910.716968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.716968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.716968 (E_RNA)
where:
Base-Base interactions energy: -586.077
where: short stacking energy: -258.966
Base-Backbone interact. energy: -0.350
local terms energy: -324.289036
where:
bonds (distance) C4'-P energy: -76.826
bonds (distance) P-C4' energy: -70.154
flat angles C4'-P-C4' energy: -68.489
flat angles P-C4'-P energy: -45.990
tors. eta vs tors. theta energy: -62.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -711.834265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.834265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.834265 (E_RNA)
where:
Base-Base interactions energy: -415.034
where: short stacking energy: -195.213
Base-Backbone interact. energy: 2.690
local terms energy: -299.490296
where:
bonds (distance) C4'-P energy: -67.601
bonds (distance) P-C4' energy: -77.545
flat angles C4'-P-C4' energy: -64.172
flat angles P-C4'-P energy: -53.063
tors. eta vs tors. theta energy: -37.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -595.215885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.215885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.215885 (E_RNA)
where:
Base-Base interactions energy: -313.670
where: short stacking energy: -162.040
Base-Backbone interact. energy: 0.760
local terms energy: -282.305450
where:
bonds (distance) C4'-P energy: -63.248
bonds (distance) P-C4' energy: -77.403
flat angles C4'-P-C4' energy: -75.074
flat angles P-C4'-P energy: -39.101
tors. eta vs tors. theta energy: -27.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -410.929439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.929439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.929439 (E_RNA)
where:
Base-Base interactions energy: -185.647
where: short stacking energy: -119.797
Base-Backbone interact. energy: -0.435
local terms energy: -224.847031
where:
bonds (distance) C4'-P energy: -68.989
bonds (distance) P-C4' energy: -49.974
flat angles C4'-P-C4' energy: -60.276
flat angles P-C4'-P energy: -44.605
tors. eta vs tors. theta energy: -1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -317.001769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.001769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.001769 (E_RNA)
where:
Base-Base interactions energy: -109.466
where: short stacking energy: -77.538
Base-Backbone interact. energy: -0.313
local terms energy: -207.222906
where:
bonds (distance) C4'-P energy: -69.355
bonds (distance) P-C4' energy: -68.602
flat angles C4'-P-C4' energy: -50.041
flat angles P-C4'-P energy: -28.653
tors. eta vs tors. theta energy: 9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1404.726486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.726486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.726486 (E_RNA)
where:
Base-Base interactions energy: -968.096
where: short stacking energy: -411.480
Base-Backbone interact. energy: 1.897
local terms energy: -438.527399
where:
bonds (distance) C4'-P energy: -80.967
bonds (distance) P-C4' energy: -81.468
flat angles C4'-P-C4' energy: -91.880
flat angles P-C4'-P energy: -54.983
tors. eta vs tors. theta energy: -129.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1324.631210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.631210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.631210 (E_RNA)
where:
Base-Base interactions energy: -887.243
where: short stacking energy: -369.619
Base-Backbone interact. energy: 0.841
local terms energy: -438.230021
where:
bonds (distance) C4'-P energy: -85.153
bonds (distance) P-C4' energy: -74.852
flat angles C4'-P-C4' energy: -90.382
flat angles P-C4'-P energy: -61.811
tors. eta vs tors. theta energy: -126.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1250.705644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.705644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.705644 (E_RNA)
where:
Base-Base interactions energy: -837.359
where: short stacking energy: -358.597
Base-Backbone interact. energy: -2.679
local terms energy: -410.668302
where:
bonds (distance) C4'-P energy: -86.182
bonds (distance) P-C4' energy: -77.465
flat angles C4'-P-C4' energy: -82.186
flat angles P-C4'-P energy: -60.006
tors. eta vs tors. theta energy: -104.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1161.181498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.181498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.181498 (E_RNA)
where:
Base-Base interactions energy: -776.603
where: short stacking energy: -350.146
Base-Backbone interact. energy: 0.895
local terms energy: -385.474264
where:
bonds (distance) C4'-P energy: -77.583
bonds (distance) P-C4' energy: -71.318
flat angles C4'-P-C4' energy: -84.848
flat angles P-C4'-P energy: -62.693
tors. eta vs tors. theta energy: -89.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1164.019185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.019185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.019185 (E_RNA)
where:
Base-Base interactions energy: -807.844
where: short stacking energy: -314.328
Base-Backbone interact. energy: 3.172
local terms energy: -359.347735
where:
bonds (distance) C4'-P energy: -67.775
bonds (distance) P-C4' energy: -74.778
flat angles C4'-P-C4' energy: -77.845
flat angles P-C4'-P energy: -53.195
tors. eta vs tors. theta energy: -85.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -837.127854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.127854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.127854 (E_RNA)
where:
Base-Base interactions energy: -517.978
where: short stacking energy: -205.861
Base-Backbone interact. energy: -1.195
local terms energy: -317.954978
where:
bonds (distance) C4'-P energy: -68.188
bonds (distance) P-C4' energy: -74.307
flat angles C4'-P-C4' energy: -64.268
flat angles P-C4'-P energy: -49.473
tors. eta vs tors. theta energy: -61.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -738.718490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.718490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.718490 (E_RNA)
where:
Base-Base interactions energy: -430.087
where: short stacking energy: -201.149
Base-Backbone interact. energy: 0.468
local terms energy: -309.099080
where:
bonds (distance) C4'-P energy: -63.313
bonds (distance) P-C4' energy: -70.117
flat angles C4'-P-C4' energy: -77.443
flat angles P-C4'-P energy: -52.819
tors. eta vs tors. theta energy: -45.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -543.863800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.863800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.863800 (E_RNA)
where:
Base-Base interactions energy: -287.467
where: short stacking energy: -133.732
Base-Backbone interact. energy: -0.067
local terms energy: -256.329553
where:
bonds (distance) C4'-P energy: -70.691
bonds (distance) P-C4' energy: -70.207
flat angles C4'-P-C4' energy: -55.366
flat angles P-C4'-P energy: -38.854
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -431.762460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.762460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.762460 (E_RNA)
where:
Base-Base interactions energy: -210.381
where: short stacking energy: -137.743
Base-Backbone interact. energy: -0.066
local terms energy: -221.315570
where:
bonds (distance) C4'-P energy: -75.969
bonds (distance) P-C4' energy: -59.282
flat angles C4'-P-C4' energy: -54.374
flat angles P-C4'-P energy: -25.223
tors. eta vs tors. theta energy: -6.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -369.738647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.738647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.738647 (E_RNA)
where:
Base-Base interactions energy: -125.224
where: short stacking energy: -85.236
Base-Backbone interact. energy: 1.372
local terms energy: -245.886817
where:
bonds (distance) C4'-P energy: -65.869
bonds (distance) P-C4' energy: -78.793
flat angles C4'-P-C4' energy: -59.364
flat angles P-C4'-P energy: -43.322
tors. eta vs tors. theta energy: 1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1427.862652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.862652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.862652 (E_RNA)
where:
Base-Base interactions energy: -970.414
where: short stacking energy: -416.284
Base-Backbone interact. energy: 4.033
local terms energy: -461.481605
where:
bonds (distance) C4'-P energy: -80.539
bonds (distance) P-C4' energy: -85.795
flat angles C4'-P-C4' energy: -99.219
flat angles P-C4'-P energy: -65.901
tors. eta vs tors. theta energy: -130.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1344.086349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.086349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.086349 (E_RNA)
where:
Base-Base interactions energy: -911.898
where: short stacking energy: -379.369
Base-Backbone interact. energy: -3.264
local terms energy: -428.925144
where:
bonds (distance) C4'-P energy: -78.703
bonds (distance) P-C4' energy: -74.008
flat angles C4'-P-C4' energy: -90.599
flat angles P-C4'-P energy: -58.572
tors. eta vs tors. theta energy: -127.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1225.270144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.270144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.270144 (E_RNA)
where:
Base-Base interactions energy: -834.540
where: short stacking energy: -347.567
Base-Backbone interact. energy: -2.569
local terms energy: -388.160935
where:
bonds (distance) C4'-P energy: -67.564
bonds (distance) P-C4' energy: -82.519
flat angles C4'-P-C4' energy: -91.123
flat angles P-C4'-P energy: -50.740
tors. eta vs tors. theta energy: -96.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1165.375252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.375252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.375252 (E_RNA)
where:
Base-Base interactions energy: -792.989
where: short stacking energy: -334.210
Base-Backbone interact. energy: -0.076
local terms energy: -372.310849
where:
bonds (distance) C4'-P energy: -64.150
bonds (distance) P-C4' energy: -68.901
flat angles C4'-P-C4' energy: -88.363
flat angles P-C4'-P energy: -51.835
tors. eta vs tors. theta energy: -99.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1087.210959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.210959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.210959 (E_RNA)
where:
Base-Base interactions energy: -737.983
where: short stacking energy: -301.396
Base-Backbone interact. energy: -3.537
local terms energy: -345.691779
where:
bonds (distance) C4'-P energy: -62.792
bonds (distance) P-C4' energy: -73.411
flat angles C4'-P-C4' energy: -83.391
flat angles P-C4'-P energy: -48.490
tors. eta vs tors. theta energy: -77.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -857.120878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.120878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.120878 (E_RNA)
where:
Base-Base interactions energy: -542.060
where: short stacking energy: -224.765
Base-Backbone interact. energy: -2.429
local terms energy: -312.632021
where:
bonds (distance) C4'-P energy: -61.781
bonds (distance) P-C4' energy: -72.590
flat angles C4'-P-C4' energy: -81.073
flat angles P-C4'-P energy: -43.236
tors. eta vs tors. theta energy: -53.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -711.694697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.694697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.694697 (E_RNA)
where:
Base-Base interactions energy: -411.049
where: short stacking energy: -220.226
Base-Backbone interact. energy: -2.561
local terms energy: -298.084067
where:
bonds (distance) C4'-P energy: -68.037
bonds (distance) P-C4' energy: -75.522
flat angles C4'-P-C4' energy: -80.596
flat angles P-C4'-P energy: -29.409
tors. eta vs tors. theta energy: -44.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -587.731905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.731905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.731905 (E_RNA)
where:
Base-Base interactions energy: -331.997
where: short stacking energy: -174.439
Base-Backbone interact. energy: -0.974
local terms energy: -254.761238
where:
bonds (distance) C4'-P energy: -52.621
bonds (distance) P-C4' energy: -64.193
flat angles C4'-P-C4' energy: -69.071
flat angles P-C4'-P energy: -46.789
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -412.950018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.950018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.950018 (E_RNA)
where:
Base-Base interactions energy: -185.412
where: short stacking energy: -121.190
Base-Backbone interact. energy: -1.157
local terms energy: -226.381127
where:
bonds (distance) C4'-P energy: -61.299
bonds (distance) P-C4' energy: -80.941
flat angles C4'-P-C4' energy: -64.018
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: 5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -300.146953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.146953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.146953 (E_RNA)
where:
Base-Base interactions energy: -106.760
where: short stacking energy: -72.895
Base-Backbone interact. energy: 5.235
local terms energy: -198.622025
where:
bonds (distance) C4'-P energy: -68.466
bonds (distance) P-C4' energy: -67.961
flat angles C4'-P-C4' energy: -54.579
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: 19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1416.481780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.481780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.481780 (E_RNA)
where:
Base-Base interactions energy: -976.607
where: short stacking energy: -414.959
Base-Backbone interact. energy: 1.925
local terms energy: -441.799772
where:
bonds (distance) C4'-P energy: -68.596
bonds (distance) P-C4' energy: -83.627
flat angles C4'-P-C4' energy: -98.291
flat angles P-C4'-P energy: -63.778
tors. eta vs tors. theta energy: -127.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1325.165706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.165706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.165706 (E_RNA)
where:
Base-Base interactions energy: -923.431
where: short stacking energy: -408.227
Base-Backbone interact. energy: -1.465
local terms energy: -400.270155
where:
bonds (distance) C4'-P energy: -74.191
bonds (distance) P-C4' energy: -66.363
flat angles C4'-P-C4' energy: -83.611
flat angles P-C4'-P energy: -52.945
tors. eta vs tors. theta energy: -123.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1211.879771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.879771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.879771 (E_RNA)
where:
Base-Base interactions energy: -807.535
where: short stacking energy: -323.895
Base-Backbone interact. energy: -1.520
local terms energy: -402.824263
where:
bonds (distance) C4'-P energy: -73.869
bonds (distance) P-C4' energy: -84.831
flat angles C4'-P-C4' energy: -82.407
flat angles P-C4'-P energy: -61.298
tors. eta vs tors. theta energy: -100.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1168.284749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.284749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.284749 (E_RNA)
where:
Base-Base interactions energy: -786.114
where: short stacking energy: -333.099
Base-Backbone interact. energy: -2.058
local terms energy: -380.112385
where:
bonds (distance) C4'-P energy: -76.060
bonds (distance) P-C4' energy: -60.033
flat angles C4'-P-C4' energy: -86.016
flat angles P-C4'-P energy: -56.242
tors. eta vs tors. theta energy: -101.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1143.746982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.746982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.746982 (E_RNA)
where:
Base-Base interactions energy: -785.939
where: short stacking energy: -312.013
Base-Backbone interact. energy: -4.476
local terms energy: -353.332382
where:
bonds (distance) C4'-P energy: -64.492
bonds (distance) P-C4' energy: -64.894
flat angles C4'-P-C4' energy: -83.243
flat angles P-C4'-P energy: -52.885
tors. eta vs tors. theta energy: -87.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -859.283221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.283221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.283221 (E_RNA)
where:
Base-Base interactions energy: -537.509
where: short stacking energy: -250.373
Base-Backbone interact. energy: -1.751
local terms energy: -320.023211
where:
bonds (distance) C4'-P energy: -65.325
bonds (distance) P-C4' energy: -71.474
flat angles C4'-P-C4' energy: -69.263
flat angles P-C4'-P energy: -42.169
tors. eta vs tors. theta energy: -71.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -731.474132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.474132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.474132 (E_RNA)
where:
Base-Base interactions energy: -433.195
where: short stacking energy: -224.341
Base-Backbone interact. energy: -1.309
local terms energy: -296.969755
where:
bonds (distance) C4'-P energy: -58.427
bonds (distance) P-C4' energy: -74.156
flat angles C4'-P-C4' energy: -66.165
flat angles P-C4'-P energy: -40.974
tors. eta vs tors. theta energy: -57.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -553.887052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.887052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.887052 (E_RNA)
where:
Base-Base interactions energy: -298.345
where: short stacking energy: -156.768
Base-Backbone interact. energy: 0.126
local terms energy: -255.667846
where:
bonds (distance) C4'-P energy: -61.659
bonds (distance) P-C4' energy: -73.149
flat angles C4'-P-C4' energy: -60.443
flat angles P-C4'-P energy: -35.963
tors. eta vs tors. theta energy: -24.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -382.747373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.747373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.747373 (E_RNA)
where:
Base-Base interactions energy: -165.396
where: short stacking energy: -122.604
Base-Backbone interact. energy: -0.269
local terms energy: -217.081479
where:
bonds (distance) C4'-P energy: -67.470
bonds (distance) P-C4' energy: -68.724
flat angles C4'-P-C4' energy: -53.796
flat angles P-C4'-P energy: -37.077
tors. eta vs tors. theta energy: 9.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -311.726179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.726179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.726179 (E_RNA)
where:
Base-Base interactions energy: -113.328
where: short stacking energy: -69.984
Base-Backbone interact. energy: -0.282
local terms energy: -198.115712
where:
bonds (distance) C4'-P energy: -62.875
bonds (distance) P-C4' energy: -67.353
flat angles C4'-P-C4' energy: -50.094
flat angles P-C4'-P energy: -27.557
tors. eta vs tors. theta energy: 9.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1424.754234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.754234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.754234 (E_RNA)
where:
Base-Base interactions energy: -980.391
where: short stacking energy: -407.981
Base-Backbone interact. energy: 1.537
local terms energy: -445.899953
where:
bonds (distance) C4'-P energy: -81.737
bonds (distance) P-C4' energy: -75.956
flat angles C4'-P-C4' energy: -92.819
flat angles P-C4'-P energy: -64.287
tors. eta vs tors. theta energy: -131.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1294.204851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.204851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.204851 (E_RNA)
where:
Base-Base interactions energy: -878.139
where: short stacking energy: -387.410
Base-Backbone interact. energy: -1.226
local terms energy: -414.839756
where:
bonds (distance) C4'-P energy: -65.210
bonds (distance) P-C4' energy: -76.297
flat angles C4'-P-C4' energy: -92.607
flat angles P-C4'-P energy: -59.844
tors. eta vs tors. theta energy: -120.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1228.206604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.206604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.206604 (E_RNA)
where:
Base-Base interactions energy: -803.289
where: short stacking energy: -356.965
Base-Backbone interact. energy: -2.199
local terms energy: -422.719108
where:
bonds (distance) C4'-P energy: -85.462
bonds (distance) P-C4' energy: -72.500
flat angles C4'-P-C4' energy: -95.709
flat angles P-C4'-P energy: -57.742
tors. eta vs tors. theta energy: -111.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1139.502065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.502065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.502065 (E_RNA)
where:
Base-Base interactions energy: -760.677
where: short stacking energy: -333.345
Base-Backbone interact. energy: -1.581
local terms energy: -377.244076
where:
bonds (distance) C4'-P energy: -65.493
bonds (distance) P-C4' energy: -76.330
flat angles C4'-P-C4' energy: -89.696
flat angles P-C4'-P energy: -55.616
tors. eta vs tors. theta energy: -90.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1158.446722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.446722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.446722 (E_RNA)
where:
Base-Base interactions energy: -774.631
where: short stacking energy: -317.487
Base-Backbone interact. energy: 2.232
local terms energy: -386.047399
where:
bonds (distance) C4'-P energy: -78.237
bonds (distance) P-C4' energy: -71.114
flat angles C4'-P-C4' energy: -88.152
flat angles P-C4'-P energy: -54.561
tors. eta vs tors. theta energy: -93.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -867.915469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.915469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.915469 (E_RNA)
where:
Base-Base interactions energy: -547.668
where: short stacking energy: -253.227
Base-Backbone interact. energy: -1.087
local terms energy: -319.160625
where:
bonds (distance) C4'-P energy: -69.133
bonds (distance) P-C4' energy: -76.238
flat angles C4'-P-C4' energy: -62.887
flat angles P-C4'-P energy: -48.498
tors. eta vs tors. theta energy: -62.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -702.791471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.791471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.791471 (E_RNA)
where:
Base-Base interactions energy: -396.727
where: short stacking energy: -184.431
Base-Backbone interact. energy: -1.542
local terms energy: -304.522472
where:
bonds (distance) C4'-P energy: -76.761
bonds (distance) P-C4' energy: -65.469
flat angles C4'-P-C4' energy: -66.711
flat angles P-C4'-P energy: -47.695
tors. eta vs tors. theta energy: -47.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -536.450305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.450305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.450305 (E_RNA)
where:
Base-Base interactions energy: -304.736
where: short stacking energy: -180.413
Base-Backbone interact. energy: -1.069
local terms energy: -230.645738
where:
bonds (distance) C4'-P energy: -48.802
bonds (distance) P-C4' energy: -79.641
flat angles C4'-P-C4' energy: -53.159
flat angles P-C4'-P energy: -35.649
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -428.573458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.573458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.573458 (E_RNA)
where:
Base-Base interactions energy: -208.635
where: short stacking energy: -117.194
Base-Backbone interact. energy: 2.494
local terms energy: -222.432605
where:
bonds (distance) C4'-P energy: -67.673
bonds (distance) P-C4' energy: -60.688
flat angles C4'-P-C4' energy: -53.413
flat angles P-C4'-P energy: -41.459
tors. eta vs tors. theta energy: 0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -333.775408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.775408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.775408 (E_RNA)
where:
Base-Base interactions energy: -114.053
where: short stacking energy: -80.249
Base-Backbone interact. energy: 0.909
local terms energy: -220.631222
where:
bonds (distance) C4'-P energy: -55.215
bonds (distance) P-C4' energy: -65.121
flat angles C4'-P-C4' energy: -67.291
flat angles P-C4'-P energy: -45.761
tors. eta vs tors. theta energy: 12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1421.462661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.462661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.462661 (E_RNA)
where:
Base-Base interactions energy: -982.387
where: short stacking energy: -416.763
Base-Backbone interact. energy: 1.817
local terms energy: -440.893123
where:
bonds (distance) C4'-P energy: -80.039
bonds (distance) P-C4' energy: -78.134
flat angles C4'-P-C4' energy: -92.352
flat angles P-C4'-P energy: -63.398
tors. eta vs tors. theta energy: -126.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1315.212414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.212414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.212414 (E_RNA)
where:
Base-Base interactions energy: -890.049
where: short stacking energy: -361.494
Base-Backbone interact. energy: -2.896
local terms energy: -422.266913
where:
bonds (distance) C4'-P energy: -76.560
bonds (distance) P-C4' energy: -80.992
flat angles C4'-P-C4' energy: -87.685
flat angles P-C4'-P energy: -66.234
tors. eta vs tors. theta energy: -110.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1222.639002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.639002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.639002 (E_RNA)
where:
Base-Base interactions energy: -812.745
where: short stacking energy: -359.464
Base-Backbone interact. energy: -0.789
local terms energy: -409.104616
where:
bonds (distance) C4'-P energy: -83.732
bonds (distance) P-C4' energy: -74.733
flat angles C4'-P-C4' energy: -85.638
flat angles P-C4'-P energy: -60.115
tors. eta vs tors. theta energy: -104.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1275.008664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.008664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.008664 (E_RNA)
where:
Base-Base interactions energy: -878.573
where: short stacking energy: -351.201
Base-Backbone interact. energy: -2.169
local terms energy: -394.266618
where:
bonds (distance) C4'-P energy: -71.774
bonds (distance) P-C4' energy: -75.420
flat angles C4'-P-C4' energy: -88.704
flat angles P-C4'-P energy: -60.929
tors. eta vs tors. theta energy: -97.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1127.670078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.670078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.670078 (E_RNA)
where:
Base-Base interactions energy: -765.539
where: short stacking energy: -328.784
Base-Backbone interact. energy: 0.687
local terms energy: -362.818626
where:
bonds (distance) C4'-P energy: -78.239
bonds (distance) P-C4' energy: -62.468
flat angles C4'-P-C4' energy: -77.888
flat angles P-C4'-P energy: -54.345
tors. eta vs tors. theta energy: -89.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -852.054079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.054079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.054079 (E_RNA)
where:
Base-Base interactions energy: -546.338
where: short stacking energy: -251.386
Base-Backbone interact. energy: -0.603
local terms energy: -305.112994
where:
bonds (distance) C4'-P energy: -55.541
bonds (distance) P-C4' energy: -79.826
flat angles C4'-P-C4' energy: -73.895
flat angles P-C4'-P energy: -38.235
tors. eta vs tors. theta energy: -57.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -667.901305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.901305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.901305 (E_RNA)
where:
Base-Base interactions energy: -394.713
where: short stacking energy: -186.159
Base-Backbone interact. energy: 2.353
local terms energy: -275.541356
where:
bonds (distance) C4'-P energy: -70.769
bonds (distance) P-C4' energy: -51.865
flat angles C4'-P-C4' energy: -77.536
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -31.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -527.882632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.882632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.882632 (E_RNA)
where:
Base-Base interactions energy: -273.277
where: short stacking energy: -166.606
Base-Backbone interact. energy: -0.980
local terms energy: -253.625590
where:
bonds (distance) C4'-P energy: -67.712
bonds (distance) P-C4' energy: -63.495
flat angles C4'-P-C4' energy: -50.780
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -27.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -370.592862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.592862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.592862 (E_RNA)
where:
Base-Base interactions energy: -159.504
where: short stacking energy: -109.387
Base-Backbone interact. energy: -1.447
local terms energy: -209.641718
where:
bonds (distance) C4'-P energy: -64.491
bonds (distance) P-C4' energy: -68.586
flat angles C4'-P-C4' energy: -57.469
flat angles P-C4'-P energy: -32.179
tors. eta vs tors. theta energy: 13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -358.174252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.174252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.174252 (E_RNA)
where:
Base-Base interactions energy: -151.437
where: short stacking energy: -99.110
Base-Backbone interact. energy: -0.629
local terms energy: -206.107746
where:
bonds (distance) C4'-P energy: -51.489
bonds (distance) P-C4' energy: -72.326
flat angles C4'-P-C4' energy: -59.557
flat angles P-C4'-P energy: -34.055
tors. eta vs tors. theta energy: 11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1429.108615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.108615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.108615 (E_RNA)
where:
Base-Base interactions energy: -997.372
where: short stacking energy: -422.299
Base-Backbone interact. energy: 0.386
local terms energy: -432.122699
where:
bonds (distance) C4'-P energy: -77.740
bonds (distance) P-C4' energy: -86.685
flat angles C4'-P-C4' energy: -87.023
flat angles P-C4'-P energy: -52.643
tors. eta vs tors. theta energy: -128.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1332.216464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.216464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.216464 (E_RNA)
where:
Base-Base interactions energy: -903.135
where: short stacking energy: -379.083
Base-Backbone interact. energy: -1.750
local terms energy: -427.332242
where:
bonds (distance) C4'-P energy: -79.171
bonds (distance) P-C4' energy: -77.948
flat angles C4'-P-C4' energy: -87.932
flat angles P-C4'-P energy: -63.546
tors. eta vs tors. theta energy: -118.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1261.594544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.594544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.594544 (E_RNA)
where:
Base-Base interactions energy: -858.042
where: short stacking energy: -344.589
Base-Backbone interact. energy: -1.277
local terms energy: -402.275414
where:
bonds (distance) C4'-P energy: -74.444
bonds (distance) P-C4' energy: -77.352
flat angles C4'-P-C4' energy: -85.249
flat angles P-C4'-P energy: -64.427
tors. eta vs tors. theta energy: -100.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1218.885622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.885622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.885622 (E_RNA)
where:
Base-Base interactions energy: -799.485
where: short stacking energy: -336.061
Base-Backbone interact. energy: 0.344
local terms energy: -419.744151
where:
bonds (distance) C4'-P energy: -87.059
bonds (distance) P-C4' energy: -89.181
flat angles C4'-P-C4' energy: -85.397
flat angles P-C4'-P energy: -52.624
tors. eta vs tors. theta energy: -105.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1170.935453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.935453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.935453 (E_RNA)
where:
Base-Base interactions energy: -772.188
where: short stacking energy: -326.653
Base-Backbone interact. energy: -1.389
local terms energy: -397.358224
where:
bonds (distance) C4'-P energy: -80.437
bonds (distance) P-C4' energy: -78.003
flat angles C4'-P-C4' energy: -89.808
flat angles P-C4'-P energy: -57.736
tors. eta vs tors. theta energy: -91.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -892.603861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.603861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.603861 (E_RNA)
where:
Base-Base interactions energy: -570.822
where: short stacking energy: -229.509
Base-Backbone interact. energy: -0.859
local terms energy: -320.923078
where:
bonds (distance) C4'-P energy: -61.039
bonds (distance) P-C4' energy: -76.495
flat angles C4'-P-C4' energy: -76.393
flat angles P-C4'-P energy: -55.397
tors. eta vs tors. theta energy: -51.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -646.024607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.024607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.024607 (E_RNA)
where:
Base-Base interactions energy: -337.111
where: short stacking energy: -179.888
Base-Backbone interact. energy: -0.524
local terms energy: -308.390108
where:
bonds (distance) C4'-P energy: -73.775
bonds (distance) P-C4' energy: -74.829
flat angles C4'-P-C4' energy: -80.789
flat angles P-C4'-P energy: -46.734
tors. eta vs tors. theta energy: -32.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -569.679761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.679761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.679761 (E_RNA)
where:
Base-Base interactions energy: -316.131
where: short stacking energy: -146.194
Base-Backbone interact. energy: -0.242
local terms energy: -253.306621
where:
bonds (distance) C4'-P energy: -65.285
bonds (distance) P-C4' energy: -61.367
flat angles C4'-P-C4' energy: -71.815
flat angles P-C4'-P energy: -45.211
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -423.513626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.513626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.513626 (E_RNA)
where:
Base-Base interactions energy: -178.496
where: short stacking energy: -123.412
Base-Backbone interact. energy: -1.704
local terms energy: -243.314285
where:
bonds (distance) C4'-P energy: -81.173
bonds (distance) P-C4' energy: -61.094
flat angles C4'-P-C4' energy: -50.670
flat angles P-C4'-P energy: -45.999
tors. eta vs tors. theta energy: -4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -335.952210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.952210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.952210 (E_RNA)
where:
Base-Base interactions energy: -114.901
where: short stacking energy: -86.187
Base-Backbone interact. energy: 1.822
local terms energy: -222.873258
where:
bonds (distance) C4'-P energy: -70.731
bonds (distance) P-C4' energy: -72.219
flat angles C4'-P-C4' energy: -63.529
flat angles P-C4'-P energy: -33.123
tors. eta vs tors. theta energy: 16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1423.011479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.011479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.011479 (E_RNA)
where:
Base-Base interactions energy: -967.264
where: short stacking energy: -410.102
Base-Backbone interact. energy: 2.482
local terms energy: -458.229118
where:
bonds (distance) C4'-P energy: -80.881
bonds (distance) P-C4' energy: -88.746
flat angles C4'-P-C4' energy: -97.461
flat angles P-C4'-P energy: -56.728
tors. eta vs tors. theta energy: -134.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1307.284461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.284461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.284461 (E_RNA)
where:
Base-Base interactions energy: -893.860
where: short stacking energy: -370.218
Base-Backbone interact. energy: 0.465
local terms energy: -413.889634
where:
bonds (distance) C4'-P energy: -78.955
bonds (distance) P-C4' energy: -81.480
flat angles C4'-P-C4' energy: -82.712
flat angles P-C4'-P energy: -55.845
tors. eta vs tors. theta energy: -114.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1258.141757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.141757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.141757 (E_RNA)
where:
Base-Base interactions energy: -873.307
where: short stacking energy: -347.233
Base-Backbone interact. energy: -0.390
local terms energy: -384.445310
where:
bonds (distance) C4'-P energy: -77.680
bonds (distance) P-C4' energy: -78.648
flat angles C4'-P-C4' energy: -88.184
flat angles P-C4'-P energy: -50.471
tors. eta vs tors. theta energy: -89.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1189.722212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.722212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.722212 (E_RNA)
where:
Base-Base interactions energy: -790.255
where: short stacking energy: -346.213
Base-Backbone interact. energy: -2.175
local terms energy: -397.292280
where:
bonds (distance) C4'-P energy: -71.576
bonds (distance) P-C4' energy: -79.994
flat angles C4'-P-C4' energy: -85.064
flat angles P-C4'-P energy: -61.229
tors. eta vs tors. theta energy: -99.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1112.582488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.582488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.582488 (E_RNA)
where:
Base-Base interactions energy: -738.055
where: short stacking energy: -314.444
Base-Backbone interact. energy: -1.356
local terms energy: -373.171606
where:
bonds (distance) C4'-P energy: -70.402
bonds (distance) P-C4' energy: -81.507
flat angles C4'-P-C4' energy: -82.941
flat angles P-C4'-P energy: -48.616
tors. eta vs tors. theta energy: -89.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -830.776745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.776745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.776745 (E_RNA)
where:
Base-Base interactions energy: -527.563
where: short stacking energy: -248.556
Base-Backbone interact. energy: -2.359
local terms energy: -300.854358
where:
bonds (distance) C4'-P energy: -59.474
bonds (distance) P-C4' energy: -75.441
flat angles C4'-P-C4' energy: -66.322
flat angles P-C4'-P energy: -46.313
tors. eta vs tors. theta energy: -53.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -575.136933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.136933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.136933 (E_RNA)
where:
Base-Base interactions energy: -307.060
where: short stacking energy: -170.834
Base-Backbone interact. energy: 9.192
local terms energy: -277.269699
where:
bonds (distance) C4'-P energy: -66.600
bonds (distance) P-C4' energy: -74.536
flat angles C4'-P-C4' energy: -65.986
flat angles P-C4'-P energy: -42.524
tors. eta vs tors. theta energy: -27.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -566.926783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.926783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.926783 (E_RNA)
where:
Base-Base interactions energy: -310.647
where: short stacking energy: -159.048
Base-Backbone interact. energy: -1.899
local terms energy: -254.380847
where:
bonds (distance) C4'-P energy: -71.306
bonds (distance) P-C4' energy: -59.536
flat angles C4'-P-C4' energy: -56.880
flat angles P-C4'-P energy: -39.311
tors. eta vs tors. theta energy: -27.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -422.467407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.467407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.467407 (E_RNA)
where:
Base-Base interactions energy: -193.452
where: short stacking energy: -121.539
Base-Backbone interact. energy: -1.348
local terms energy: -227.667043
where:
bonds (distance) C4'-P energy: -63.600
bonds (distance) P-C4' energy: -52.372
flat angles C4'-P-C4' energy: -62.588
flat angles P-C4'-P energy: -39.431
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -432.028007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.028007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.028007 (E_RNA)
where:
Base-Base interactions energy: -199.755
where: short stacking energy: -92.795
Base-Backbone interact. energy: -2.626
local terms energy: -229.646473
where:
bonds (distance) C4'-P energy: -54.241
bonds (distance) P-C4' energy: -59.492
flat angles C4'-P-C4' energy: -64.952
flat angles P-C4'-P energy: -47.720
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1438.916076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.916076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.916076 (E_RNA)
where:
Base-Base interactions energy: -993.100
where: short stacking energy: -430.745
Base-Backbone interact. energy: 0.322
local terms energy: -446.138621
where:
bonds (distance) C4'-P energy: -73.989
bonds (distance) P-C4' energy: -81.225
flat angles C4'-P-C4' energy: -92.308
flat angles P-C4'-P energy: -65.781
tors. eta vs tors. theta energy: -132.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1320.211264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.211264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.211264 (E_RNA)
where:
Base-Base interactions energy: -894.141
where: short stacking energy: -370.257
Base-Backbone interact. energy: -1.648
local terms energy: -424.422735
where:
bonds (distance) C4'-P energy: -79.890
bonds (distance) P-C4' energy: -69.027
flat angles C4'-P-C4' energy: -91.604
flat angles P-C4'-P energy: -66.758
tors. eta vs tors. theta energy: -117.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1257.657546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.657546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.657546 (E_RNA)
where:
Base-Base interactions energy: -866.119
where: short stacking energy: -347.147
Base-Backbone interact. energy: -1.631
local terms energy: -389.907046
where:
bonds (distance) C4'-P energy: -69.116
bonds (distance) P-C4' energy: -81.596
flat angles C4'-P-C4' energy: -85.151
flat angles P-C4'-P energy: -57.721
tors. eta vs tors. theta energy: -96.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1179.746504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.746504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.746504 (E_RNA)
where:
Base-Base interactions energy: -787.877
where: short stacking energy: -337.370
Base-Backbone interact. energy: 2.081
local terms energy: -393.950572
where:
bonds (distance) C4'-P energy: -73.794
bonds (distance) P-C4' energy: -76.625
flat angles C4'-P-C4' energy: -89.417
flat angles P-C4'-P energy: -50.054
tors. eta vs tors. theta energy: -104.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1114.182760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.182760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.182760 (E_RNA)
where:
Base-Base interactions energy: -771.989
where: short stacking energy: -316.583
Base-Backbone interact. energy: -1.819
local terms energy: -340.374525
where:
bonds (distance) C4'-P energy: -69.252
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -74.146
flat angles P-C4'-P energy: -51.339
tors. eta vs tors. theta energy: -91.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -878.489370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.489370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.489370 (E_RNA)
where:
Base-Base interactions energy: -571.874
where: short stacking energy: -269.965
Base-Backbone interact. energy: 1.158
local terms energy: -307.772826
where:
bonds (distance) C4'-P energy: -61.743
bonds (distance) P-C4' energy: -58.907
flat angles C4'-P-C4' energy: -76.774
flat angles P-C4'-P energy: -42.980
tors. eta vs tors. theta energy: -67.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -696.044489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.044489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.044489 (E_RNA)
where:
Base-Base interactions energy: -395.325
where: short stacking energy: -216.158
Base-Backbone interact. energy: -1.247
local terms energy: -299.472026
where:
bonds (distance) C4'-P energy: -67.878
bonds (distance) P-C4' energy: -76.872
flat angles C4'-P-C4' energy: -69.944
flat angles P-C4'-P energy: -41.736
tors. eta vs tors. theta energy: -43.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -549.248442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.248442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.248442 (E_RNA)
where:
Base-Base interactions energy: -281.068
where: short stacking energy: -161.316
Base-Backbone interact. energy: -0.330
local terms energy: -267.849823
where:
bonds (distance) C4'-P energy: -58.117
bonds (distance) P-C4' energy: -71.360
flat angles C4'-P-C4' energy: -62.319
flat angles P-C4'-P energy: -43.943
tors. eta vs tors. theta energy: -32.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -438.936647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.936647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.936647 (E_RNA)
where:
Base-Base interactions energy: -200.368
where: short stacking energy: -123.818
Base-Backbone interact. energy: -0.844
local terms energy: -237.724312
where:
bonds (distance) C4'-P energy: -67.504
bonds (distance) P-C4' energy: -66.933
flat angles C4'-P-C4' energy: -66.555
flat angles P-C4'-P energy: -37.041
tors. eta vs tors. theta energy: 0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -400.626239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.626239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.626239 (E_RNA)
where:
Base-Base interactions energy: -206.858
where: short stacking energy: -90.664
Base-Backbone interact. energy: 6.237
local terms energy: -200.004866
where:
bonds (distance) C4'-P energy: -53.343
bonds (distance) P-C4' energy: -64.493
flat angles C4'-P-C4' energy: -58.226
flat angles P-C4'-P energy: -36.585
tors. eta vs tors. theta energy: 12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1434.916684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.916684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.916684 (E_RNA)
where:
Base-Base interactions energy: -987.926
where: short stacking energy: -431.117
Base-Backbone interact. energy: -0.143
local terms energy: -446.847977
where:
bonds (distance) C4'-P energy: -75.214
bonds (distance) P-C4' energy: -75.358
flat angles C4'-P-C4' energy: -93.485
flat angles P-C4'-P energy: -72.812
tors. eta vs tors. theta energy: -129.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1338.776778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.776778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.776778 (E_RNA)
where:
Base-Base interactions energy: -893.985
where: short stacking energy: -386.488
Base-Backbone interact. energy: -2.073
local terms energy: -442.719099
where:
bonds (distance) C4'-P energy: -89.174
bonds (distance) P-C4' energy: -79.616
flat angles C4'-P-C4' energy: -93.658
flat angles P-C4'-P energy: -52.874
tors. eta vs tors. theta energy: -127.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1261.730364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.730364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.730364 (E_RNA)
where:
Base-Base interactions energy: -869.143
where: short stacking energy: -348.510
Base-Backbone interact. energy: -1.168
local terms energy: -391.419338
where:
bonds (distance) C4'-P energy: -77.529
bonds (distance) P-C4' energy: -83.626
flat angles C4'-P-C4' energy: -87.479
flat angles P-C4'-P energy: -50.585
tors. eta vs tors. theta energy: -92.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1170.118524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.118524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.118524 (E_RNA)
where:
Base-Base interactions energy: -786.221
where: short stacking energy: -328.605
Base-Backbone interact. energy: -1.575
local terms energy: -382.322831
where:
bonds (distance) C4'-P energy: -74.445
bonds (distance) P-C4' energy: -74.284
flat angles C4'-P-C4' energy: -81.158
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: -100.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1086.129596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.129596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.129596 (E_RNA)
where:
Base-Base interactions energy: -748.554
where: short stacking energy: -303.016
Base-Backbone interact. energy: 0.755
local terms energy: -338.330278
where:
bonds (distance) C4'-P energy: -69.807
bonds (distance) P-C4' energy: -69.835
flat angles C4'-P-C4' energy: -79.795
flat angles P-C4'-P energy: -54.125
tors. eta vs tors. theta energy: -64.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -857.145868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.145868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.145868 (E_RNA)
where:
Base-Base interactions energy: -536.155
where: short stacking energy: -240.778
Base-Backbone interact. energy: -3.166
local terms energy: -317.825007
where:
bonds (distance) C4'-P energy: -79.813
bonds (distance) P-C4' energy: -80.441
flat angles C4'-P-C4' energy: -75.459
flat angles P-C4'-P energy: -41.427
tors. eta vs tors. theta energy: -40.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -654.061743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.061743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.061743 (E_RNA)
where:
Base-Base interactions energy: -370.692
where: short stacking energy: -175.540
Base-Backbone interact. energy: -0.722
local terms energy: -282.647777
where:
bonds (distance) C4'-P energy: -67.914
bonds (distance) P-C4' energy: -75.793
flat angles C4'-P-C4' energy: -56.838
flat angles P-C4'-P energy: -49.382
tors. eta vs tors. theta energy: -32.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -599.962274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.962274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.962274 (E_RNA)
where:
Base-Base interactions energy: -363.474
where: short stacking energy: -166.860
Base-Backbone interact. energy: 4.521
local terms energy: -241.009063
where:
bonds (distance) C4'-P energy: -48.178
bonds (distance) P-C4' energy: -61.421
flat angles C4'-P-C4' energy: -69.911
flat angles P-C4'-P energy: -43.374
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -435.623782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.623782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.623782 (E_RNA)
where:
Base-Base interactions energy: -203.381
where: short stacking energy: -123.470
Base-Backbone interact. energy: 2.587
local terms energy: -234.830197
where:
bonds (distance) C4'-P energy: -79.493
bonds (distance) P-C4' energy: -60.311
flat angles C4'-P-C4' energy: -60.945
flat angles P-C4'-P energy: -27.050
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -297.227528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.227528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.227528 (E_RNA)
where:
Base-Base interactions energy: -109.468
where: short stacking energy: -73.140
Base-Backbone interact. energy: -1.586
local terms energy: -186.173556
where:
bonds (distance) C4'-P energy: -53.681
bonds (distance) P-C4' energy: -65.030
flat angles C4'-P-C4' energy: -52.889
flat angles P-C4'-P energy: -29.227
tors. eta vs tors. theta energy: 14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1435.936454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.936454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.936454 (E_RNA)
where:
Base-Base interactions energy: -973.959
where: short stacking energy: -415.090
Base-Backbone interact. energy: 2.096
local terms energy: -464.072734
where:
bonds (distance) C4'-P energy: -91.248
bonds (distance) P-C4' energy: -87.699
flat angles C4'-P-C4' energy: -95.053
flat angles P-C4'-P energy: -62.412
tors. eta vs tors. theta energy: -127.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1348.488393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.488393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.488393 (E_RNA)
where:
Base-Base interactions energy: -915.972
where: short stacking energy: -382.726
Base-Backbone interact. energy: -2.320
local terms energy: -430.196016
where:
bonds (distance) C4'-P energy: -74.072
bonds (distance) P-C4' energy: -88.413
flat angles C4'-P-C4' energy: -84.676
flat angles P-C4'-P energy: -56.767
tors. eta vs tors. theta energy: -126.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1270.014693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.014693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.014693 (E_RNA)
where:
Base-Base interactions energy: -897.115
where: short stacking energy: -345.424
Base-Backbone interact. energy: -1.247
local terms energy: -371.652264
where:
bonds (distance) C4'-P energy: -73.715
bonds (distance) P-C4' energy: -72.762
flat angles C4'-P-C4' energy: -71.540
flat angles P-C4'-P energy: -58.197
tors. eta vs tors. theta energy: -95.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1148.681056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.681056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.681056 (E_RNA)
where:
Base-Base interactions energy: -785.011
where: short stacking energy: -332.550
Base-Backbone interact. energy: -0.410
local terms energy: -363.259418
where:
bonds (distance) C4'-P energy: -66.674
bonds (distance) P-C4' energy: -73.886
flat angles C4'-P-C4' energy: -72.509
flat angles P-C4'-P energy: -55.773
tors. eta vs tors. theta energy: -94.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1087.820373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.820373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.820373 (E_RNA)
where:
Base-Base interactions energy: -731.562
where: short stacking energy: -308.936
Base-Backbone interact. energy: -0.440
local terms energy: -355.818833
where:
bonds (distance) C4'-P energy: -70.028
bonds (distance) P-C4' energy: -62.286
flat angles C4'-P-C4' energy: -82.326
flat angles P-C4'-P energy: -51.578
tors. eta vs tors. theta energy: -89.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -909.782805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.782805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.782805 (E_RNA)
where:
Base-Base interactions energy: -563.560
where: short stacking energy: -252.668
Base-Backbone interact. energy: -1.189
local terms energy: -345.034192
where:
bonds (distance) C4'-P energy: -69.790
bonds (distance) P-C4' energy: -68.760
flat angles C4'-P-C4' energy: -77.114
flat angles P-C4'-P energy: -54.540
tors. eta vs tors. theta energy: -74.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -668.641255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.641255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.641255 (E_RNA)
where:
Base-Base interactions energy: -383.197
where: short stacking energy: -206.797
Base-Backbone interact. energy: -0.355
local terms energy: -285.089793
where:
bonds (distance) C4'-P energy: -61.869
bonds (distance) P-C4' energy: -68.372
flat angles C4'-P-C4' energy: -62.727
flat angles P-C4'-P energy: -51.826
tors. eta vs tors. theta energy: -40.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -614.323111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.323111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.323111 (E_RNA)
where:
Base-Base interactions energy: -386.942
where: short stacking energy: -192.700
Base-Backbone interact. energy: -2.013
local terms energy: -225.368541
where:
bonds (distance) C4'-P energy: -62.182
bonds (distance) P-C4' energy: -55.337
flat angles C4'-P-C4' energy: -52.148
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -27.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -420.575398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.575398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.575398 (E_RNA)
where:
Base-Base interactions energy: -191.878
where: short stacking energy: -109.571
Base-Backbone interact. energy: -0.892
local terms energy: -227.805671
where:
bonds (distance) C4'-P energy: -71.778
bonds (distance) P-C4' energy: -68.241
flat angles C4'-P-C4' energy: -55.827
flat angles P-C4'-P energy: -35.571
tors. eta vs tors. theta energy: 3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -323.114307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.114307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.114307 (E_RNA)
where:
Base-Base interactions energy: -128.016
where: short stacking energy: -93.574
Base-Backbone interact. energy: 3.270
local terms energy: -198.367716
where:
bonds (distance) C4'-P energy: -61.605
bonds (distance) P-C4' energy: -65.382
flat angles C4'-P-C4' energy: -58.597
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: 16.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1430.250987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.250987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.250987 (E_RNA)
where:
Base-Base interactions energy: -990.853
where: short stacking energy: -413.865
Base-Backbone interact. energy: -1.987
local terms energy: -437.410559
where:
bonds (distance) C4'-P energy: -78.936
bonds (distance) P-C4' energy: -81.345
flat angles C4'-P-C4' energy: -88.554
flat angles P-C4'-P energy: -58.664
tors. eta vs tors. theta energy: -129.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1344.251817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.251817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.251817 (E_RNA)
where:
Base-Base interactions energy: -910.661
where: short stacking energy: -383.081
Base-Backbone interact. energy: -1.917
local terms energy: -431.674148
where:
bonds (distance) C4'-P energy: -78.192
bonds (distance) P-C4' energy: -78.221
flat angles C4'-P-C4' energy: -90.507
flat angles P-C4'-P energy: -56.695
tors. eta vs tors. theta energy: -128.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1259.317160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.317160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.317160 (E_RNA)
where:
Base-Base interactions energy: -881.053
where: short stacking energy: -350.344
Base-Backbone interact. energy: -2.016
local terms energy: -376.248383
where:
bonds (distance) C4'-P energy: -73.173
bonds (distance) P-C4' energy: -72.847
flat angles C4'-P-C4' energy: -83.031
flat angles P-C4'-P energy: -50.366
tors. eta vs tors. theta energy: -96.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1131.156817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.156817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.156817 (E_RNA)
where:
Base-Base interactions energy: -739.509
where: short stacking energy: -320.361
Base-Backbone interact. energy: -1.060
local terms energy: -390.588169
where:
bonds (distance) C4'-P energy: -74.703
bonds (distance) P-C4' energy: -73.195
flat angles C4'-P-C4' energy: -92.326
flat angles P-C4'-P energy: -54.268
tors. eta vs tors. theta energy: -96.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1152.234384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.234384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.234384 (E_RNA)
where:
Base-Base interactions energy: -768.987
where: short stacking energy: -348.168
Base-Backbone interact. energy: -0.770
local terms energy: -382.476870
where:
bonds (distance) C4'-P energy: -70.409
bonds (distance) P-C4' energy: -65.921
flat angles C4'-P-C4' energy: -85.016
flat angles P-C4'-P energy: -51.318
tors. eta vs tors. theta energy: -109.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -926.862885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.862885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.862885 (E_RNA)
where:
Base-Base interactions energy: -589.633
where: short stacking energy: -256.141
Base-Backbone interact. energy: 0.901
local terms energy: -338.131126
where:
bonds (distance) C4'-P energy: -72.897
bonds (distance) P-C4' energy: -77.211
flat angles C4'-P-C4' energy: -75.111
flat angles P-C4'-P energy: -48.929
tors. eta vs tors. theta energy: -63.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -649.470660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.470660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.470660 (E_RNA)
where:
Base-Base interactions energy: -383.378
where: short stacking energy: -190.065
Base-Backbone interact. energy: 4.929
local terms energy: -271.021540
where:
bonds (distance) C4'-P energy: -67.073
bonds (distance) P-C4' energy: -55.636
flat angles C4'-P-C4' energy: -75.455
flat angles P-C4'-P energy: -49.452
tors. eta vs tors. theta energy: -23.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -633.854702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.854702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.854702 (E_RNA)
where:
Base-Base interactions energy: -361.053
where: short stacking energy: -162.888
Base-Backbone interact. energy: 0.029
local terms energy: -272.830800
where:
bonds (distance) C4'-P energy: -71.509
bonds (distance) P-C4' energy: -60.503
flat angles C4'-P-C4' energy: -71.730
flat angles P-C4'-P energy: -41.444
tors. eta vs tors. theta energy: -27.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -400.886103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.886103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.886103 (E_RNA)
where:
Base-Base interactions energy: -170.139
where: short stacking energy: -120.313
Base-Backbone interact. energy: -1.016
local terms energy: -229.731017
where:
bonds (distance) C4'-P energy: -57.990
bonds (distance) P-C4' energy: -64.387
flat angles C4'-P-C4' energy: -66.003
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -331.178961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.178961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.178961 (E_RNA)
where:
Base-Base interactions energy: -103.697
where: short stacking energy: -98.165
Base-Backbone interact. energy: -1.686
local terms energy: -225.796032
where:
bonds (distance) C4'-P energy: -59.188
bonds (distance) P-C4' energy: -74.897
flat angles C4'-P-C4' energy: -54.495
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1436.067541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.067541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.067541 (E_RNA)
where:
Base-Base interactions energy: -989.008
where: short stacking energy: -407.612
Base-Backbone interact. energy: -1.498
local terms energy: -445.561416
where:
bonds (distance) C4'-P energy: -88.347
bonds (distance) P-C4' energy: -74.039
flat angles C4'-P-C4' energy: -91.045
flat angles P-C4'-P energy: -61.261
tors. eta vs tors. theta energy: -130.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1331.643932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.643932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.643932 (E_RNA)
where:
Base-Base interactions energy: -915.558
where: short stacking energy: -401.966
Base-Backbone interact. energy: -2.999
local terms energy: -413.086235
where:
bonds (distance) C4'-P energy: -64.688
bonds (distance) P-C4' energy: -74.715
flat angles C4'-P-C4' energy: -93.624
flat angles P-C4'-P energy: -59.486
tors. eta vs tors. theta energy: -120.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1278.621942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.621942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.621942 (E_RNA)
where:
Base-Base interactions energy: -888.483
where: short stacking energy: -350.631
Base-Backbone interact. energy: -1.307
local terms energy: -388.831481
where:
bonds (distance) C4'-P energy: -70.527
bonds (distance) P-C4' energy: -81.779
flat angles C4'-P-C4' energy: -79.271
flat angles P-C4'-P energy: -59.745
tors. eta vs tors. theta energy: -97.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1132.730945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.730945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.730945 (E_RNA)
where:
Base-Base interactions energy: -769.604
where: short stacking energy: -326.457
Base-Backbone interact. energy: -2.934
local terms energy: -360.192643
where:
bonds (distance) C4'-P energy: -63.309
bonds (distance) P-C4' energy: -71.934
flat angles C4'-P-C4' energy: -84.418
flat angles P-C4'-P energy: -55.142
tors. eta vs tors. theta energy: -85.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1146.940438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.940438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.940438 (E_RNA)
where:
Base-Base interactions energy: -773.962
where: short stacking energy: -351.820
Base-Backbone interact. energy: -1.284
local terms energy: -371.693864
where:
bonds (distance) C4'-P energy: -79.143
bonds (distance) P-C4' energy: -65.168
flat angles C4'-P-C4' energy: -79.240
flat angles P-C4'-P energy: -54.746
tors. eta vs tors. theta energy: -93.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -912.699426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.699426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.699426 (E_RNA)
where:
Base-Base interactions energy: -589.742
where: short stacking energy: -255.740
Base-Backbone interact. energy: -1.696
local terms energy: -321.261082
where:
bonds (distance) C4'-P energy: -62.083
bonds (distance) P-C4' energy: -68.282
flat angles C4'-P-C4' energy: -78.055
flat angles P-C4'-P energy: -48.895
tors. eta vs tors. theta energy: -63.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -689.913400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.913400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.913400 (E_RNA)
where:
Base-Base interactions energy: -418.597
where: short stacking energy: -189.751
Base-Backbone interact. energy: 0.989
local terms energy: -272.306061
where:
bonds (distance) C4'-P energy: -69.582
bonds (distance) P-C4' energy: -64.604
flat angles C4'-P-C4' energy: -70.856
flat angles P-C4'-P energy: -36.636
tors. eta vs tors. theta energy: -30.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -663.342246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.342246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.342246 (E_RNA)
where:
Base-Base interactions energy: -377.834
where: short stacking energy: -186.982
Base-Backbone interact. energy: -2.078
local terms energy: -283.430417
where:
bonds (distance) C4'-P energy: -60.915
bonds (distance) P-C4' energy: -70.077
flat angles C4'-P-C4' energy: -64.768
flat angles P-C4'-P energy: -44.570
tors. eta vs tors. theta energy: -43.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -384.888130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.888130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.888130 (E_RNA)
where:
Base-Base interactions energy: -175.582
where: short stacking energy: -113.057
Base-Backbone interact. energy: -1.066
local terms energy: -208.239817
where:
bonds (distance) C4'-P energy: -55.402
bonds (distance) P-C4' energy: -66.832
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -48.789
tors. eta vs tors. theta energy: 8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -320.052028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.052028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.052028 (E_RNA)
where:
Base-Base interactions energy: -113.625
where: short stacking energy: -78.462
Base-Backbone interact. energy: -2.976
local terms energy: -203.451669
where:
bonds (distance) C4'-P energy: -58.210
bonds (distance) P-C4' energy: -71.478
flat angles C4'-P-C4' energy: -52.628
flat angles P-C4'-P energy: -31.941
tors. eta vs tors. theta energy: 10.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1428.581093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.581093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.581093 (E_RNA)
where:
Base-Base interactions energy: -970.725
where: short stacking energy: -436.625
Base-Backbone interact. energy: -0.383
local terms energy: -457.472948
where:
bonds (distance) C4'-P energy: -84.303
bonds (distance) P-C4' energy: -72.605
flat angles C4'-P-C4' energy: -99.304
flat angles P-C4'-P energy: -65.848
tors. eta vs tors. theta energy: -135.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1334.801612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.801612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.801612 (E_RNA)
where:
Base-Base interactions energy: -901.424
where: short stacking energy: -395.049
Base-Backbone interact. energy: -1.571
local terms energy: -431.807172
where:
bonds (distance) C4'-P energy: -77.365
bonds (distance) P-C4' energy: -77.130
flat angles C4'-P-C4' energy: -96.832
flat angles P-C4'-P energy: -59.980
tors. eta vs tors. theta energy: -120.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1291.623384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.623384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.623384 (E_RNA)
where:
Base-Base interactions energy: -905.951
where: short stacking energy: -365.599
Base-Backbone interact. energy: 1.275
local terms energy: -386.947267
where:
bonds (distance) C4'-P energy: -69.458
bonds (distance) P-C4' energy: -73.757
flat angles C4'-P-C4' energy: -81.307
flat angles P-C4'-P energy: -61.492
tors. eta vs tors. theta energy: -100.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1144.455579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.455579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.455579 (E_RNA)
where:
Base-Base interactions energy: -755.517
where: short stacking energy: -323.331
Base-Backbone interact. energy: -1.274
local terms energy: -387.665052
where:
bonds (distance) C4'-P energy: -66.575
bonds (distance) P-C4' energy: -80.456
flat angles C4'-P-C4' energy: -88.389
flat angles P-C4'-P energy: -59.334
tors. eta vs tors. theta energy: -92.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1112.099056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.099056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.099056 (E_RNA)
where:
Base-Base interactions energy: -761.557
where: short stacking energy: -339.044
Base-Backbone interact. energy: -2.188
local terms energy: -348.354239
where:
bonds (distance) C4'-P energy: -82.915
bonds (distance) P-C4' energy: -59.844
flat angles C4'-P-C4' energy: -79.020
flat angles P-C4'-P energy: -52.245
tors. eta vs tors. theta energy: -74.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -834.682926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.682926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.682926 (E_RNA)
where:
Base-Base interactions energy: -540.391
where: short stacking energy: -208.326
Base-Backbone interact. energy: -0.556
local terms energy: -293.736394
where:
bonds (distance) C4'-P energy: -65.294
bonds (distance) P-C4' energy: -58.937
flat angles C4'-P-C4' energy: -79.552
flat angles P-C4'-P energy: -39.906
tors. eta vs tors. theta energy: -50.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -698.253067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.253067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.253067 (E_RNA)
where:
Base-Base interactions energy: -410.835
where: short stacking energy: -187.406
Base-Backbone interact. energy: 0.907
local terms energy: -288.325269
where:
bonds (distance) C4'-P energy: -72.105
bonds (distance) P-C4' energy: -69.538
flat angles C4'-P-C4' energy: -71.892
flat angles P-C4'-P energy: -41.426
tors. eta vs tors. theta energy: -33.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -618.799086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.799086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.799086 (E_RNA)
where:
Base-Base interactions energy: -377.195
where: short stacking energy: -165.751
Base-Backbone interact. energy: -0.811
local terms energy: -240.793318
where:
bonds (distance) C4'-P energy: -69.121
bonds (distance) P-C4' energy: -60.594
flat angles C4'-P-C4' energy: -60.259
flat angles P-C4'-P energy: -28.072
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -442.363580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.363580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.363580 (E_RNA)
where:
Base-Base interactions energy: -209.050
where: short stacking energy: -126.766
Base-Backbone interact. energy: 0.945
local terms energy: -234.257968
where:
bonds (distance) C4'-P energy: -65.066
bonds (distance) P-C4' energy: -63.403
flat angles C4'-P-C4' energy: -64.861
flat angles P-C4'-P energy: -28.086
tors. eta vs tors. theta energy: -12.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -329.616861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.616861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.616861 (E_RNA)
where:
Base-Base interactions energy: -144.882
where: short stacking energy: -105.255
Base-Backbone interact. energy: -1.471
local terms energy: -183.263990
where:
bonds (distance) C4'-P energy: -52.792
bonds (distance) P-C4' energy: -74.041
flat angles C4'-P-C4' energy: -47.331
flat angles P-C4'-P energy: -35.652
tors. eta vs tors. theta energy: 26.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1447.895505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.895505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.895505 (E_RNA)
where:
Base-Base interactions energy: -1008.421
where: short stacking energy: -432.781
Base-Backbone interact. energy: -1.682
local terms energy: -437.792578
where:
bonds (distance) C4'-P energy: -79.187
bonds (distance) P-C4' energy: -82.000
flat angles C4'-P-C4' energy: -81.819
flat angles P-C4'-P energy: -58.730
tors. eta vs tors. theta energy: -136.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1332.470840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.470840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.470840 (E_RNA)
where:
Base-Base interactions energy: -909.151
where: short stacking energy: -403.284
Base-Backbone interact. energy: -0.204
local terms energy: -423.115744
where:
bonds (distance) C4'-P energy: -81.201
bonds (distance) P-C4' energy: -78.042
flat angles C4'-P-C4' energy: -90.982
flat angles P-C4'-P energy: -53.930
tors. eta vs tors. theta energy: -118.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1280.600352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.600352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.600352 (E_RNA)
where:
Base-Base interactions energy: -903.528
where: short stacking energy: -377.194
Base-Backbone interact. energy: 0.655
local terms energy: -377.726912
where:
bonds (distance) C4'-P energy: -65.439
bonds (distance) P-C4' energy: -77.823
flat angles C4'-P-C4' energy: -75.638
flat angles P-C4'-P energy: -57.939
tors. eta vs tors. theta energy: -100.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1169.457605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.457605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.457605 (E_RNA)
where:
Base-Base interactions energy: -796.713
where: short stacking energy: -342.928
Base-Backbone interact. energy: 0.292
local terms energy: -373.036152
where:
bonds (distance) C4'-P energy: -74.876
bonds (distance) P-C4' energy: -78.900
flat angles C4'-P-C4' energy: -81.631
flat angles P-C4'-P energy: -39.510
tors. eta vs tors. theta energy: -98.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1112.206774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.206774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.206774 (E_RNA)
where:
Base-Base interactions energy: -765.772
where: short stacking energy: -339.829
Base-Backbone interact. energy: -1.028
local terms energy: -345.407019
where:
bonds (distance) C4'-P energy: -66.436
bonds (distance) P-C4' energy: -60.014
flat angles C4'-P-C4' energy: -85.511
flat angles P-C4'-P energy: -48.626
tors. eta vs tors. theta energy: -84.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -891.076370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.076370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.076370 (E_RNA)
where:
Base-Base interactions energy: -586.564
where: short stacking energy: -231.570
Base-Backbone interact. energy: -1.573
local terms energy: -302.939524
where:
bonds (distance) C4'-P energy: -72.508
bonds (distance) P-C4' energy: -64.369
flat angles C4'-P-C4' energy: -81.656
flat angles P-C4'-P energy: -36.239
tors. eta vs tors. theta energy: -48.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -682.200332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.200332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.200332 (E_RNA)
where:
Base-Base interactions energy: -388.784
where: short stacking energy: -208.517
Base-Backbone interact. energy: -2.387
local terms energy: -291.028818
where:
bonds (distance) C4'-P energy: -72.144
bonds (distance) P-C4' energy: -61.278
flat angles C4'-P-C4' energy: -67.553
flat angles P-C4'-P energy: -41.614
tors. eta vs tors. theta energy: -48.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -621.496316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.496316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.496316 (E_RNA)
where:
Base-Base interactions energy: -343.647
where: short stacking energy: -173.833
Base-Backbone interact. energy: 0.598
local terms energy: -278.447502
where:
bonds (distance) C4'-P energy: -82.915
bonds (distance) P-C4' energy: -70.425
flat angles C4'-P-C4' energy: -62.858
flat angles P-C4'-P energy: -37.826
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -352.277851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.277851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.277851 (E_RNA)
where:
Base-Base interactions energy: -137.143
where: short stacking energy: -86.948
Base-Backbone interact. energy: 2.123
local terms energy: -217.257343
where:
bonds (distance) C4'-P energy: -63.582
bonds (distance) P-C4' energy: -72.345
flat angles C4'-P-C4' energy: -62.861
flat angles P-C4'-P energy: -32.990
tors. eta vs tors. theta energy: 14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -406.801099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.801099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.801099 (E_RNA)
where:
Base-Base interactions energy: -157.859
where: short stacking energy: -91.085
Base-Backbone interact. energy: 1.936
local terms energy: -250.877713
where:
bonds (distance) C4'-P energy: -67.153
bonds (distance) P-C4' energy: -80.373
flat angles C4'-P-C4' energy: -69.151
flat angles P-C4'-P energy: -40.229
tors. eta vs tors. theta energy: 6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1436.843341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.843341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.843341 (E_RNA)
where:
Base-Base interactions energy: -997.316
where: short stacking energy: -422.055
Base-Backbone interact. energy: -1.916
local terms energy: -437.611519
where:
bonds (distance) C4'-P energy: -65.257
bonds (distance) P-C4' energy: -75.354
flat angles C4'-P-C4' energy: -96.217
flat angles P-C4'-P energy: -65.416
tors. eta vs tors. theta energy: -135.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1317.784190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.784190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.784190 (E_RNA)
where:
Base-Base interactions energy: -917.338
where: short stacking energy: -387.877
Base-Backbone interact. energy: -0.156
local terms energy: -400.290233
where:
bonds (distance) C4'-P energy: -80.032
bonds (distance) P-C4' energy: -64.956
flat angles C4'-P-C4' energy: -87.016
flat angles P-C4'-P energy: -55.755
tors. eta vs tors. theta energy: -112.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1266.391559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.391559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.391559 (E_RNA)
where:
Base-Base interactions energy: -877.191
where: short stacking energy: -352.768
Base-Backbone interact. energy: -2.159
local terms energy: -387.041622
where:
bonds (distance) C4'-P energy: -72.875
bonds (distance) P-C4' energy: -74.082
flat angles C4'-P-C4' energy: -80.577
flat angles P-C4'-P energy: -53.126
tors. eta vs tors. theta energy: -106.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1198.660604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.660604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.660604 (E_RNA)
where:
Base-Base interactions energy: -788.112
where: short stacking energy: -342.478
Base-Backbone interact. energy: 1.087
local terms energy: -411.635567
where:
bonds (distance) C4'-P energy: -79.114
bonds (distance) P-C4' energy: -82.724
flat angles C4'-P-C4' energy: -92.170
flat angles P-C4'-P energy: -52.752
tors. eta vs tors. theta energy: -104.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1095.549321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.549321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.549321 (E_RNA)
where:
Base-Base interactions energy: -714.657
where: short stacking energy: -302.486
Base-Backbone interact. energy: -2.783
local terms energy: -378.109712
where:
bonds (distance) C4'-P energy: -77.332
bonds (distance) P-C4' energy: -75.186
flat angles C4'-P-C4' energy: -78.571
flat angles P-C4'-P energy: -65.045
tors. eta vs tors. theta energy: -81.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -912.574145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.574145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.574145 (E_RNA)
where:
Base-Base interactions energy: -590.995
where: short stacking energy: -246.386
Base-Backbone interact. energy: 0.976
local terms energy: -322.555092
where:
bonds (distance) C4'-P energy: -63.492
bonds (distance) P-C4' energy: -70.351
flat angles C4'-P-C4' energy: -79.397
flat angles P-C4'-P energy: -50.523
tors. eta vs tors. theta energy: -58.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -743.892941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.892941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.892941 (E_RNA)
where:
Base-Base interactions energy: -439.715
where: short stacking energy: -209.884
Base-Backbone interact. energy: 0.939
local terms energy: -305.116613
where:
bonds (distance) C4'-P energy: -79.461
bonds (distance) P-C4' energy: -58.397
flat angles C4'-P-C4' energy: -73.469
flat angles P-C4'-P energy: -42.544
tors. eta vs tors. theta energy: -51.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -665.037102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.037102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.037102 (E_RNA)
where:
Base-Base interactions energy: -394.039
where: short stacking energy: -191.735
Base-Backbone interact. energy: 0.370
local terms energy: -271.368083
where:
bonds (distance) C4'-P energy: -53.167
bonds (distance) P-C4' energy: -63.485
flat angles C4'-P-C4' energy: -76.931
flat angles P-C4'-P energy: -35.958
tors. eta vs tors. theta energy: -41.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -354.378664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.378664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.378664 (E_RNA)
where:
Base-Base interactions energy: -151.586
where: short stacking energy: -108.028
Base-Backbone interact. energy: -0.019
local terms energy: -202.773705
where:
bonds (distance) C4'-P energy: -63.476
bonds (distance) P-C4' energy: -79.265
flat angles C4'-P-C4' energy: -46.032
flat angles P-C4'-P energy: -30.128
tors. eta vs tors. theta energy: 16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -398.510123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.510123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.510123 (E_RNA)
where:
Base-Base interactions energy: -189.652
where: short stacking energy: -101.833
Base-Backbone interact. energy: 4.483
local terms energy: -213.340840
where:
bonds (distance) C4'-P energy: -68.304
bonds (distance) P-C4' energy: -68.590
flat angles C4'-P-C4' energy: -51.894
flat angles P-C4'-P energy: -33.966
tors. eta vs tors. theta energy: 9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1445.928366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.928366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.928366 (E_RNA)
where:
Base-Base interactions energy: -981.493
where: short stacking energy: -413.027
Base-Backbone interact. energy: 0.364
local terms energy: -464.799351
where:
bonds (distance) C4'-P energy: -81.674
bonds (distance) P-C4' energy: -84.619
flat angles C4'-P-C4' energy: -98.154
flat angles P-C4'-P energy: -62.510
tors. eta vs tors. theta energy: -137.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1308.492216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.492216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.492216 (E_RNA)
where:
Base-Base interactions energy: -888.009
where: short stacking energy: -376.708
Base-Backbone interact. energy: -1.346
local terms energy: -419.136913
where:
bonds (distance) C4'-P energy: -80.458
bonds (distance) P-C4' energy: -82.410
flat angles C4'-P-C4' energy: -83.878
flat angles P-C4'-P energy: -54.817
tors. eta vs tors. theta energy: -117.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1282.937901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.937901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.937901 (E_RNA)
where:
Base-Base interactions energy: -887.877
where: short stacking energy: -364.608
Base-Backbone interact. energy: -1.394
local terms energy: -393.666629
where:
bonds (distance) C4'-P energy: -69.558
bonds (distance) P-C4' energy: -84.399
flat angles C4'-P-C4' energy: -89.575
flat angles P-C4'-P energy: -47.963
tors. eta vs tors. theta energy: -102.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1210.141050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.141050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.141050 (E_RNA)
where:
Base-Base interactions energy: -819.284
where: short stacking energy: -365.304
Base-Backbone interact. energy: -1.791
local terms energy: -389.066921
where:
bonds (distance) C4'-P energy: -72.061
bonds (distance) P-C4' energy: -76.303
flat angles C4'-P-C4' energy: -80.061
flat angles P-C4'-P energy: -49.230
tors. eta vs tors. theta energy: -111.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1080.787582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.787582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.787582 (E_RNA)
where:
Base-Base interactions energy: -708.171
where: short stacking energy: -301.431
Base-Backbone interact. energy: -1.946
local terms energy: -370.670207
where:
bonds (distance) C4'-P energy: -71.450
bonds (distance) P-C4' energy: -72.367
flat angles C4'-P-C4' energy: -87.842
flat angles P-C4'-P energy: -60.019
tors. eta vs tors. theta energy: -78.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -871.222754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.222754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.222754 (E_RNA)
where:
Base-Base interactions energy: -570.904
where: short stacking energy: -244.792
Base-Backbone interact. energy: 1.019
local terms energy: -301.337859
where:
bonds (distance) C4'-P energy: -65.040
bonds (distance) P-C4' energy: -66.231
flat angles C4'-P-C4' energy: -80.427
flat angles P-C4'-P energy: -35.373
tors. eta vs tors. theta energy: -54.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -707.386221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.386221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.386221 (E_RNA)
where:
Base-Base interactions energy: -408.559
where: short stacking energy: -184.917
Base-Backbone interact. energy: -3.160
local terms energy: -295.667600
where:
bonds (distance) C4'-P energy: -71.549
bonds (distance) P-C4' energy: -74.748
flat angles C4'-P-C4' energy: -64.569
flat angles P-C4'-P energy: -43.877
tors. eta vs tors. theta energy: -40.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -666.033824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.033824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.033824 (E_RNA)
where:
Base-Base interactions energy: -371.687
where: short stacking energy: -187.773
Base-Backbone interact. energy: 1.217
local terms energy: -295.563846
where:
bonds (distance) C4'-P energy: -67.714
bonds (distance) P-C4' energy: -83.772
flat angles C4'-P-C4' energy: -64.063
flat angles P-C4'-P energy: -39.522
tors. eta vs tors. theta energy: -40.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -407.169501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.169501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.169501 (E_RNA)
where:
Base-Base interactions energy: -181.679
where: short stacking energy: -114.631
Base-Backbone interact. energy: -0.189
local terms energy: -225.301055
where:
bonds (distance) C4'-P energy: -57.533
bonds (distance) P-C4' energy: -71.456
flat angles C4'-P-C4' energy: -59.705
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: -3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -300.750515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.750515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.750515 (E_RNA)
where:
Base-Base interactions energy: -83.106
where: short stacking energy: -70.360
Base-Backbone interact. energy: 1.395
local terms energy: -219.039082
where:
bonds (distance) C4'-P energy: -56.608
bonds (distance) P-C4' energy: -75.325
flat angles C4'-P-C4' energy: -60.239
flat angles P-C4'-P energy: -23.328
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1429.095455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.095455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.095455 (E_RNA)
where:
Base-Base interactions energy: -975.204
where: short stacking energy: -426.629
Base-Backbone interact. energy: -0.573
local terms energy: -453.318616
where:
bonds (distance) C4'-P energy: -77.868
bonds (distance) P-C4' energy: -79.519
flat angles C4'-P-C4' energy: -100.348
flat angles P-C4'-P energy: -62.792
tors. eta vs tors. theta energy: -132.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1324.934873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.934873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.934873 (E_RNA)
where:
Base-Base interactions energy: -905.663
where: short stacking energy: -359.098
Base-Backbone interact. energy: 1.015
local terms energy: -420.286730
where:
bonds (distance) C4'-P energy: -79.756
bonds (distance) P-C4' energy: -76.970
flat angles C4'-P-C4' energy: -98.572
flat angles P-C4'-P energy: -48.174
tors. eta vs tors. theta energy: -116.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1285.684204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.684204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.684204 (E_RNA)
where:
Base-Base interactions energy: -886.301
where: short stacking energy: -362.328
Base-Backbone interact. energy: -1.308
local terms energy: -398.074457
where:
bonds (distance) C4'-P energy: -78.009
bonds (distance) P-C4' energy: -74.991
flat angles C4'-P-C4' energy: -86.667
flat angles P-C4'-P energy: -52.376
tors. eta vs tors. theta energy: -106.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1234.649742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.649742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.649742 (E_RNA)
where:
Base-Base interactions energy: -835.499
where: short stacking energy: -346.379
Base-Backbone interact. energy: -0.983
local terms energy: -398.167187
where:
bonds (distance) C4'-P energy: -74.738
bonds (distance) P-C4' energy: -73.322
flat angles C4'-P-C4' energy: -83.746
flat angles P-C4'-P energy: -61.404
tors. eta vs tors. theta energy: -104.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1105.490514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.490514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.490514 (E_RNA)
where:
Base-Base interactions energy: -724.220
where: short stacking energy: -290.322
Base-Backbone interact. energy: -1.615
local terms energy: -379.655600
where:
bonds (distance) C4'-P energy: -85.002
bonds (distance) P-C4' energy: -74.860
flat angles C4'-P-C4' energy: -84.939
flat angles P-C4'-P energy: -53.701
tors. eta vs tors. theta energy: -81.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -871.101637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.101637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.101637 (E_RNA)
where:
Base-Base interactions energy: -556.599
where: short stacking energy: -253.430
Base-Backbone interact. energy: -3.944
local terms energy: -310.558640
where:
bonds (distance) C4'-P energy: -68.913
bonds (distance) P-C4' energy: -62.187
flat angles C4'-P-C4' energy: -74.402
flat angles P-C4'-P energy: -43.877
tors. eta vs tors. theta energy: -61.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -712.971027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.971027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.971027 (E_RNA)
where:
Base-Base interactions energy: -420.369
where: short stacking energy: -201.818
Base-Backbone interact. energy: -0.882
local terms energy: -291.719218
where:
bonds (distance) C4'-P energy: -68.823
bonds (distance) P-C4' energy: -78.786
flat angles C4'-P-C4' energy: -57.585
flat angles P-C4'-P energy: -40.410
tors. eta vs tors. theta energy: -46.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -676.762967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.762967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.762967 (E_RNA)
where:
Base-Base interactions energy: -415.209
where: short stacking energy: -174.338
Base-Backbone interact. energy: -2.019
local terms energy: -259.535087
where:
bonds (distance) C4'-P energy: -67.778
bonds (distance) P-C4' energy: -60.595
flat angles C4'-P-C4' energy: -65.916
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -24.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -422.305505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.305505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.305505 (E_RNA)
where:
Base-Base interactions energy: -198.817
where: short stacking energy: -113.842
Base-Backbone interact. energy: 4.596
local terms energy: -228.085213
where:
bonds (distance) C4'-P energy: -59.580
bonds (distance) P-C4' energy: -62.847
flat angles C4'-P-C4' energy: -67.199
flat angles P-C4'-P energy: -25.903
tors. eta vs tors. theta energy: -12.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -314.469231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.469231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.469231 (E_RNA)
where:
Base-Base interactions energy: -88.499
where: short stacking energy: -72.678
Base-Backbone interact. energy: 0.044
local terms energy: -226.014092
where:
bonds (distance) C4'-P energy: -57.813
bonds (distance) P-C4' energy: -74.884
flat angles C4'-P-C4' energy: -60.065
flat angles P-C4'-P energy: -39.246
tors. eta vs tors. theta energy: 5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1421.386614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.386614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.386614 (E_RNA)
where:
Base-Base interactions energy: -980.572
where: short stacking energy: -427.197
Base-Backbone interact. energy: -2.286
local terms energy: -438.528927
where:
bonds (distance) C4'-P energy: -77.188
bonds (distance) P-C4' energy: -74.015
flat angles C4'-P-C4' energy: -96.949
flat angles P-C4'-P energy: -61.925
tors. eta vs tors. theta energy: -128.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1344.604403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.604403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.604403 (E_RNA)
where:
Base-Base interactions energy: -921.802
where: short stacking energy: -377.853
Base-Backbone interact. energy: 0.117
local terms energy: -422.919810
where:
bonds (distance) C4'-P energy: -79.842
bonds (distance) P-C4' energy: -81.339
flat angles C4'-P-C4' energy: -88.466
flat angles P-C4'-P energy: -52.382
tors. eta vs tors. theta energy: -120.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1278.626538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.626538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.626538 (E_RNA)
where:
Base-Base interactions energy: -882.934
where: short stacking energy: -359.486
Base-Backbone interact. energy: 3.080
local terms energy: -398.772283
where:
bonds (distance) C4'-P energy: -76.231
bonds (distance) P-C4' energy: -84.251
flat angles C4'-P-C4' energy: -83.430
flat angles P-C4'-P energy: -55.310
tors. eta vs tors. theta energy: -99.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1215.086171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.086171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.086171 (E_RNA)
where:
Base-Base interactions energy: -814.428
where: short stacking energy: -341.564
Base-Backbone interact. energy: 1.211
local terms energy: -401.868629
where:
bonds (distance) C4'-P energy: -78.235
bonds (distance) P-C4' energy: -76.718
flat angles C4'-P-C4' energy: -84.371
flat angles P-C4'-P energy: -60.810
tors. eta vs tors. theta energy: -101.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1106.574675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.574675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.574675 (E_RNA)
where:
Base-Base interactions energy: -754.621
where: short stacking energy: -299.199
Base-Backbone interact. energy: 0.257
local terms energy: -352.210557
where:
bonds (distance) C4'-P energy: -78.980
bonds (distance) P-C4' energy: -58.754
flat angles C4'-P-C4' energy: -76.381
flat angles P-C4'-P energy: -52.745
tors. eta vs tors. theta energy: -85.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -915.302433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.302433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.302433 (E_RNA)
where:
Base-Base interactions energy: -603.024
where: short stacking energy: -229.627
Base-Backbone interact. energy: -2.086
local terms energy: -310.192506
where:
bonds (distance) C4'-P energy: -70.358
bonds (distance) P-C4' energy: -82.829
flat angles C4'-P-C4' energy: -66.657
flat angles P-C4'-P energy: -42.472
tors. eta vs tors. theta energy: -47.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -751.585090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.585090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.585090 (E_RNA)
where:
Base-Base interactions energy: -454.257
where: short stacking energy: -230.333
Base-Backbone interact. energy: -0.951
local terms energy: -296.376958
where:
bonds (distance) C4'-P energy: -61.915
bonds (distance) P-C4' energy: -69.078
flat angles C4'-P-C4' energy: -70.190
flat angles P-C4'-P energy: -44.391
tors. eta vs tors. theta energy: -50.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -749.458649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.458649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.458649 (E_RNA)
where:
Base-Base interactions energy: -444.236
where: short stacking energy: -216.581
Base-Backbone interact. energy: -0.890
local terms energy: -304.332423
where:
bonds (distance) C4'-P energy: -61.624
bonds (distance) P-C4' energy: -74.297
flat angles C4'-P-C4' energy: -72.846
flat angles P-C4'-P energy: -45.817
tors. eta vs tors. theta energy: -49.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -395.024715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.024715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.024715 (E_RNA)
where:
Base-Base interactions energy: -186.419
where: short stacking energy: -103.334
Base-Backbone interact. energy: -0.947
local terms energy: -207.658798
where:
bonds (distance) C4'-P energy: -64.248
bonds (distance) P-C4' energy: -46.807
flat angles C4'-P-C4' energy: -62.747
flat angles P-C4'-P energy: -46.734
tors. eta vs tors. theta energy: 12.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -312.354220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.354220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.354220 (E_RNA)
where:
Base-Base interactions energy: -110.136
where: short stacking energy: -78.709
Base-Backbone interact. energy: -1.395
local terms energy: -200.823391
where:
bonds (distance) C4'-P energy: -59.786
bonds (distance) P-C4' energy: -65.929
flat angles C4'-P-C4' energy: -55.765
flat angles P-C4'-P energy: -36.147
tors. eta vs tors. theta energy: 16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1424.712051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.712051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.712051 (E_RNA)
where:
Base-Base interactions energy: -986.581
where: short stacking energy: -409.035
Base-Backbone interact. energy: -1.212
local terms energy: -436.918393
where:
bonds (distance) C4'-P energy: -69.549
bonds (distance) P-C4' energy: -77.162
flat angles C4'-P-C4' energy: -96.020
flat angles P-C4'-P energy: -60.997
tors. eta vs tors. theta energy: -133.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1354.164273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.164273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.164273 (E_RNA)
where:
Base-Base interactions energy: -943.641
where: short stacking energy: -377.435
Base-Backbone interact. energy: -0.493
local terms energy: -410.030933
where:
bonds (distance) C4'-P energy: -71.334
bonds (distance) P-C4' energy: -82.814
flat angles C4'-P-C4' energy: -90.780
flat angles P-C4'-P energy: -61.447
tors. eta vs tors. theta energy: -103.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1314.353141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.353141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.353141 (E_RNA)
where:
Base-Base interactions energy: -897.464
where: short stacking energy: -371.897
Base-Backbone interact. energy: -2.800
local terms energy: -414.089470
where:
bonds (distance) C4'-P energy: -78.973
bonds (distance) P-C4' energy: -73.061
flat angles C4'-P-C4' energy: -94.770
flat angles P-C4'-P energy: -49.150
tors. eta vs tors. theta energy: -118.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1130.646774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.646774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.646774 (E_RNA)
where:
Base-Base interactions energy: -772.857
where: short stacking energy: -334.761
Base-Backbone interact. energy: -1.485
local terms energy: -356.304143
where:
bonds (distance) C4'-P energy: -63.403
bonds (distance) P-C4' energy: -67.550
flat angles C4'-P-C4' energy: -81.900
flat angles P-C4'-P energy: -52.429
tors. eta vs tors. theta energy: -91.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1156.608083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.608083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.608083 (E_RNA)
where:
Base-Base interactions energy: -767.030
where: short stacking energy: -319.247
Base-Backbone interact. energy: 0.561
local terms energy: -390.138798
where:
bonds (distance) C4'-P energy: -78.015
bonds (distance) P-C4' energy: -82.180
flat angles C4'-P-C4' energy: -83.031
flat angles P-C4'-P energy: -54.008
tors. eta vs tors. theta energy: -92.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -944.256052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.256052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.256052 (E_RNA)
where:
Base-Base interactions energy: -615.743
where: short stacking energy: -254.176
Base-Backbone interact. energy: -3.839
local terms energy: -324.673998
where:
bonds (distance) C4'-P energy: -53.153
bonds (distance) P-C4' energy: -82.754
flat angles C4'-P-C4' energy: -69.515
flat angles P-C4'-P energy: -45.146
tors. eta vs tors. theta energy: -74.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -731.752874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.752874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.752874 (E_RNA)
where:
Base-Base interactions energy: -459.641
where: short stacking energy: -217.448
Base-Backbone interact. energy: 0.300
local terms energy: -272.411705
where:
bonds (distance) C4'-P energy: -65.171
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -68.732
flat angles P-C4'-P energy: -44.617
tors. eta vs tors. theta energy: -38.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -769.660785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.660785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.660785 (E_RNA)
where:
Base-Base interactions energy: -482.621
where: short stacking energy: -227.354
Base-Backbone interact. energy: -1.494
local terms energy: -285.545377
where:
bonds (distance) C4'-P energy: -66.921
bonds (distance) P-C4' energy: -60.866
flat angles C4'-P-C4' energy: -68.589
flat angles P-C4'-P energy: -50.046
tors. eta vs tors. theta energy: -39.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -408.394757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.394757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.394757 (E_RNA)
where:
Base-Base interactions energy: -181.212
where: short stacking energy: -115.173
Base-Backbone interact. energy: 2.078
local terms energy: -229.260295
where:
bonds (distance) C4'-P energy: -58.439
bonds (distance) P-C4' energy: -75.608
flat angles C4'-P-C4' energy: -67.572
flat angles P-C4'-P energy: -32.628
tors. eta vs tors. theta energy: 4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -325.247176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.247176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.247176 (E_RNA)
where:
Base-Base interactions energy: -130.126
where: short stacking energy: -88.989
Base-Backbone interact. energy: 0.627
local terms energy: -195.748656
where:
bonds (distance) C4'-P energy: -58.067
bonds (distance) P-C4' energy: -67.232
flat angles C4'-P-C4' energy: -39.737
flat angles P-C4'-P energy: -34.204
tors. eta vs tors. theta energy: 3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1438.189892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.189892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.189892 (E_RNA)
where:
Base-Base interactions energy: -999.366
where: short stacking energy: -419.203
Base-Backbone interact. energy: -0.550
local terms energy: -438.274042
where:
bonds (distance) C4'-P energy: -74.191
bonds (distance) P-C4' energy: -81.152
flat angles C4'-P-C4' energy: -91.136
flat angles P-C4'-P energy: -58.605
tors. eta vs tors. theta energy: -133.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1330.496773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.496773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.496773 (E_RNA)
where:
Base-Base interactions energy: -917.859
where: short stacking energy: -374.591
Base-Backbone interact. energy: -0.402
local terms energy: -412.236233
where:
bonds (distance) C4'-P energy: -82.121
bonds (distance) P-C4' energy: -83.330
flat angles C4'-P-C4' energy: -78.676
flat angles P-C4'-P energy: -55.906
tors. eta vs tors. theta energy: -112.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1313.572007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.572007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.572007 (E_RNA)
where:
Base-Base interactions energy: -904.222
where: short stacking energy: -381.578
Base-Backbone interact. energy: -0.927
local terms energy: -408.423085
where:
bonds (distance) C4'-P energy: -76.220
bonds (distance) P-C4' energy: -78.270
flat angles C4'-P-C4' energy: -74.319
flat angles P-C4'-P energy: -51.774
tors. eta vs tors. theta energy: -127.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1195.502177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.502177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.502177 (E_RNA)
where:
Base-Base interactions energy: -807.299
where: short stacking energy: -360.513
Base-Backbone interact. energy: -2.704
local terms energy: -385.498882
where:
bonds (distance) C4'-P energy: -74.799
bonds (distance) P-C4' energy: -72.296
flat angles C4'-P-C4' energy: -77.070
flat angles P-C4'-P energy: -55.086
tors. eta vs tors. theta energy: -106.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1095.257456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.257456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.257456 (E_RNA)
where:
Base-Base interactions energy: -726.567
where: short stacking energy: -304.726
Base-Backbone interact. energy: -0.252
local terms energy: -368.438382
where:
bonds (distance) C4'-P energy: -76.216
bonds (distance) P-C4' energy: -76.747
flat angles C4'-P-C4' energy: -78.633
flat angles P-C4'-P energy: -45.034
tors. eta vs tors. theta energy: -91.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -971.172700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.172700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.172700 (E_RNA)
where:
Base-Base interactions energy: -617.790
where: short stacking energy: -264.830
Base-Backbone interact. energy: -2.782
local terms energy: -350.600133
where:
bonds (distance) C4'-P energy: -84.098
bonds (distance) P-C4' energy: -76.645
flat angles C4'-P-C4' energy: -74.267
flat angles P-C4'-P energy: -45.341
tors. eta vs tors. theta energy: -70.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -864.445347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.445347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.445347 (E_RNA)
where:
Base-Base interactions energy: -552.479
where: short stacking energy: -248.817
Base-Backbone interact. energy: 1.507
local terms energy: -313.473434
where:
bonds (distance) C4'-P energy: -67.639
bonds (distance) P-C4' energy: -73.470
flat angles C4'-P-C4' energy: -67.992
flat angles P-C4'-P energy: -47.478
tors. eta vs tors. theta energy: -56.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -650.925943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.925943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.925943 (E_RNA)
where:
Base-Base interactions energy: -397.391
where: short stacking energy: -175.153
Base-Backbone interact. energy: -0.069
local terms energy: -253.465979
where:
bonds (distance) C4'-P energy: -53.857
bonds (distance) P-C4' energy: -63.831
flat angles C4'-P-C4' energy: -64.434
flat angles P-C4'-P energy: -45.004
tors. eta vs tors. theta energy: -26.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -411.140515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.140515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.140515 (E_RNA)
where:
Base-Base interactions energy: -162.582
where: short stacking energy: -101.021
Base-Backbone interact. energy: -0.869
local terms energy: -247.688699
where:
bonds (distance) C4'-P energy: -71.512
bonds (distance) P-C4' energy: -69.905
flat angles C4'-P-C4' energy: -61.092
flat angles P-C4'-P energy: -36.122
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -323.016790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.016790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.016790 (E_RNA)
where:
Base-Base interactions energy: -114.412
where: short stacking energy: -90.827
Base-Backbone interact. energy: -3.829
local terms energy: -204.775583
where:
bonds (distance) C4'-P energy: -66.389
bonds (distance) P-C4' energy: -76.482
flat angles C4'-P-C4' energy: -49.629
flat angles P-C4'-P energy: -39.272
tors. eta vs tors. theta energy: 26.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1439.136193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.136193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.136193 (E_RNA)
where:
Base-Base interactions energy: -984.889
where: short stacking energy: -426.804
Base-Backbone interact. energy: -1.295
local terms energy: -452.952154
where:
bonds (distance) C4'-P energy: -77.368
bonds (distance) P-C4' energy: -75.525
flat angles C4'-P-C4' energy: -92.547
flat angles P-C4'-P energy: -66.803
tors. eta vs tors. theta energy: -140.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1319.942065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.942065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.942065 (E_RNA)
where:
Base-Base interactions energy: -917.745
where: short stacking energy: -379.581
Base-Backbone interact. energy: -1.395
local terms energy: -400.802639
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -80.218
flat angles C4'-P-C4' energy: -83.254
flat angles P-C4'-P energy: -55.736
tors. eta vs tors. theta energy: -112.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1311.417223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.417223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.417223 (E_RNA)
where:
Base-Base interactions energy: -890.108
where: short stacking energy: -372.478
Base-Backbone interact. energy: -2.833
local terms energy: -418.476100
where:
bonds (distance) C4'-P energy: -76.429
bonds (distance) P-C4' energy: -78.244
flat angles C4'-P-C4' energy: -94.963
flat angles P-C4'-P energy: -52.548
tors. eta vs tors. theta energy: -116.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1219.570209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.570209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.570209 (E_RNA)
where:
Base-Base interactions energy: -825.171
where: short stacking energy: -350.750
Base-Backbone interact. energy: -2.843
local terms energy: -391.556359
where:
bonds (distance) C4'-P energy: -84.632
bonds (distance) P-C4' energy: -73.053
flat angles C4'-P-C4' energy: -81.796
flat angles P-C4'-P energy: -54.836
tors. eta vs tors. theta energy: -97.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1111.668390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.668390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.668390 (E_RNA)
where:
Base-Base interactions energy: -742.055
where: short stacking energy: -338.967
Base-Backbone interact. energy: 1.180
local terms energy: -370.793264
where:
bonds (distance) C4'-P energy: -59.799
bonds (distance) P-C4' energy: -73.816
flat angles C4'-P-C4' energy: -85.085
flat angles P-C4'-P energy: -50.646
tors. eta vs tors. theta energy: -101.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -938.125626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.125626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.125626 (E_RNA)
where:
Base-Base interactions energy: -599.466
where: short stacking energy: -271.694
Base-Backbone interact. energy: -0.641
local terms energy: -338.018716
where:
bonds (distance) C4'-P energy: -72.075
bonds (distance) P-C4' energy: -68.010
flat angles C4'-P-C4' energy: -71.772
flat angles P-C4'-P energy: -55.270
tors. eta vs tors. theta energy: -70.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -840.493553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.493553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.493553 (E_RNA)
where:
Base-Base interactions energy: -533.139
where: short stacking energy: -243.443
Base-Backbone interact. energy: -1.137
local terms energy: -306.218058
where:
bonds (distance) C4'-P energy: -52.457
bonds (distance) P-C4' energy: -78.873
flat angles C4'-P-C4' energy: -66.545
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -64.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -641.643010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.643010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.643010 (E_RNA)
where:
Base-Base interactions energy: -354.333
where: short stacking energy: -156.765
Base-Backbone interact. energy: -0.200
local terms energy: -287.110443
where:
bonds (distance) C4'-P energy: -78.032
bonds (distance) P-C4' energy: -77.415
flat angles C4'-P-C4' energy: -59.718
flat angles P-C4'-P energy: -46.191
tors. eta vs tors. theta energy: -25.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -395.868849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.868849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.868849 (E_RNA)
where:
Base-Base interactions energy: -165.304
where: short stacking energy: -109.037
Base-Backbone interact. energy: 1.411
local terms energy: -231.976344
where:
bonds (distance) C4'-P energy: -75.419
bonds (distance) P-C4' energy: -64.970
flat angles C4'-P-C4' energy: -55.819
flat angles P-C4'-P energy: -37.938
tors. eta vs tors. theta energy: 2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -303.143948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.143948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.143948 (E_RNA)
where:
Base-Base interactions energy: -104.518
where: short stacking energy: -76.536
Base-Backbone interact. energy: 1.861
local terms energy: -200.487106
where:
bonds (distance) C4'-P energy: -55.186
bonds (distance) P-C4' energy: -74.888
flat angles C4'-P-C4' energy: -48.263
flat angles P-C4'-P energy: -32.083
tors. eta vs tors. theta energy: 9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1422.667254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.667254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.667254 (E_RNA)
where:
Base-Base interactions energy: -975.699
where: short stacking energy: -414.099
Base-Backbone interact. energy: 0.834
local terms energy: -447.802352
where:
bonds (distance) C4'-P energy: -76.986
bonds (distance) P-C4' energy: -88.787
flat angles C4'-P-C4' energy: -90.748
flat angles P-C4'-P energy: -61.591
tors. eta vs tors. theta energy: -129.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1320.366303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.366303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.366303 (E_RNA)
where:
Base-Base interactions energy: -916.541
where: short stacking energy: -385.520
Base-Backbone interact. energy: -2.458
local terms energy: -401.367260
where:
bonds (distance) C4'-P energy: -69.979
bonds (distance) P-C4' energy: -76.854
flat angles C4'-P-C4' energy: -90.989
flat angles P-C4'-P energy: -59.294
tors. eta vs tors. theta energy: -104.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1332.799173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.799173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.799173 (E_RNA)
where:
Base-Base interactions energy: -920.577
where: short stacking energy: -378.621
Base-Backbone interact. energy: -2.029
local terms energy: -410.192604
where:
bonds (distance) C4'-P energy: -68.993
bonds (distance) P-C4' energy: -86.774
flat angles C4'-P-C4' energy: -81.398
flat angles P-C4'-P energy: -60.161
tors. eta vs tors. theta energy: -112.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1182.910024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.910024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.910024 (E_RNA)
where:
Base-Base interactions energy: -792.700
where: short stacking energy: -334.014
Base-Backbone interact. energy: 0.347
local terms energy: -390.557195
where:
bonds (distance) C4'-P energy: -66.318
bonds (distance) P-C4' energy: -75.761
flat angles C4'-P-C4' energy: -83.684
flat angles P-C4'-P energy: -66.472
tors. eta vs tors. theta energy: -98.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1096.270408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.270408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.270408 (E_RNA)
where:
Base-Base interactions energy: -739.959
where: short stacking energy: -326.105
Base-Backbone interact. energy: -1.127
local terms energy: -355.183879
where:
bonds (distance) C4'-P energy: -60.233
bonds (distance) P-C4' energy: -82.279
flat angles C4'-P-C4' energy: -80.578
flat angles P-C4'-P energy: -41.912
tors. eta vs tors. theta energy: -90.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -979.572850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.572850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.572850 (E_RNA)
where:
Base-Base interactions energy: -635.070
where: short stacking energy: -252.312
Base-Backbone interact. energy: -0.976
local terms energy: -343.526240
where:
bonds (distance) C4'-P energy: -75.548
bonds (distance) P-C4' energy: -75.633
flat angles C4'-P-C4' energy: -85.577
flat angles P-C4'-P energy: -52.028
tors. eta vs tors. theta energy: -54.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -807.493358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.493358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.493358 (E_RNA)
where:
Base-Base interactions energy: -525.114
where: short stacking energy: -222.625
Base-Backbone interact. energy: 0.420
local terms energy: -282.799491
where:
bonds (distance) C4'-P energy: -64.521
bonds (distance) P-C4' energy: -68.314
flat angles C4'-P-C4' energy: -69.726
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -36.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -570.249799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.249799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.249799 (E_RNA)
where:
Base-Base interactions energy: -335.367
where: short stacking energy: -169.949
Base-Backbone interact. energy: -0.140
local terms energy: -234.742929
where:
bonds (distance) C4'-P energy: -69.216
bonds (distance) P-C4' energy: -61.209
flat angles C4'-P-C4' energy: -58.841
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -416.971479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.971479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.971479 (E_RNA)
where:
Base-Base interactions energy: -186.970
where: short stacking energy: -108.162
Base-Backbone interact. energy: -0.940
local terms energy: -229.060822
where:
bonds (distance) C4'-P energy: -68.566
bonds (distance) P-C4' energy: -73.760
flat angles C4'-P-C4' energy: -64.677
flat angles P-C4'-P energy: -26.745
tors. eta vs tors. theta energy: 4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -339.419731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.419731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.419731 (E_RNA)
where:
Base-Base interactions energy: -108.916
where: short stacking energy: -86.545
Base-Backbone interact. energy: -0.480
local terms energy: -230.023918
where:
bonds (distance) C4'-P energy: -56.602
bonds (distance) P-C4' energy: -71.410
flat angles C4'-P-C4' energy: -72.096
flat angles P-C4'-P energy: -33.096
tors. eta vs tors. theta energy: 3.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1421.397529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.397529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.397529 (E_RNA)
where:
Base-Base interactions energy: -988.810
where: short stacking energy: -416.186
Base-Backbone interact. energy: 4.759
local terms energy: -437.346374
where:
bonds (distance) C4'-P energy: -76.988
bonds (distance) P-C4' energy: -81.977
flat angles C4'-P-C4' energy: -94.000
flat angles P-C4'-P energy: -56.969
tors. eta vs tors. theta energy: -127.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1323.637704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.637704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.637704 (E_RNA)
where:
Base-Base interactions energy: -919.624
where: short stacking energy: -379.981
Base-Backbone interact. energy: -1.686
local terms energy: -402.327104
where:
bonds (distance) C4'-P energy: -69.853
bonds (distance) P-C4' energy: -79.283
flat angles C4'-P-C4' energy: -79.737
flat angles P-C4'-P energy: -61.645
tors. eta vs tors. theta energy: -111.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1284.461982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.461982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.461982 (E_RNA)
where:
Base-Base interactions energy: -865.900
where: short stacking energy: -362.004
Base-Backbone interact. energy: 2.581
local terms energy: -421.143375
where:
bonds (distance) C4'-P energy: -73.760
bonds (distance) P-C4' energy: -68.115
flat angles C4'-P-C4' energy: -95.726
flat angles P-C4'-P energy: -64.759
tors. eta vs tors. theta energy: -118.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1163.084241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.084241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.084241 (E_RNA)
where:
Base-Base interactions energy: -779.720
where: short stacking energy: -320.919
Base-Backbone interact. energy: -3.034
local terms energy: -380.330849
where:
bonds (distance) C4'-P energy: -68.233
bonds (distance) P-C4' energy: -77.026
flat angles C4'-P-C4' energy: -88.810
flat angles P-C4'-P energy: -54.350
tors. eta vs tors. theta energy: -91.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1140.811184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.811184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.811184 (E_RNA)
where:
Base-Base interactions energy: -751.111
where: short stacking energy: -336.893
Base-Backbone interact. energy: 0.213
local terms energy: -389.912883
where:
bonds (distance) C4'-P energy: -69.028
bonds (distance) P-C4' energy: -73.455
flat angles C4'-P-C4' energy: -82.906
flat angles P-C4'-P energy: -58.623
tors. eta vs tors. theta energy: -105.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -963.428010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.428010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.428010 (E_RNA)
where:
Base-Base interactions energy: -636.199
where: short stacking energy: -242.287
Base-Backbone interact. energy: -2.905
local terms energy: -324.323844
where:
bonds (distance) C4'-P energy: -65.448
bonds (distance) P-C4' energy: -80.493
flat angles C4'-P-C4' energy: -75.727
flat angles P-C4'-P energy: -43.264
tors. eta vs tors. theta energy: -59.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -810.233186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.233186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.233186 (E_RNA)
where:
Base-Base interactions energy: -508.008
where: short stacking energy: -218.212
Base-Backbone interact. energy: 1.978
local terms energy: -304.202783
where:
bonds (distance) C4'-P energy: -58.990
bonds (distance) P-C4' energy: -77.146
flat angles C4'-P-C4' energy: -76.166
flat angles P-C4'-P energy: -38.940
tors. eta vs tors. theta energy: -52.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -569.203713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.203713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.203713 (E_RNA)
where:
Base-Base interactions energy: -320.558
where: short stacking energy: -156.080
Base-Backbone interact. energy: 1.862
local terms energy: -250.507285
where:
bonds (distance) C4'-P energy: -67.396
bonds (distance) P-C4' energy: -67.306
flat angles C4'-P-C4' energy: -65.218
flat angles P-C4'-P energy: -35.107
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -506.094844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.094844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.094844 (E_RNA)
where:
Base-Base interactions energy: -262.833
where: short stacking energy: -134.833
Base-Backbone interact. energy: -0.892
local terms energy: -242.369607
where:
bonds (distance) C4'-P energy: -51.852
bonds (distance) P-C4' energy: -56.483
flat angles C4'-P-C4' energy: -69.088
flat angles P-C4'-P energy: -54.843
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -315.589196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.589196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.589196 (E_RNA)
where:
Base-Base interactions energy: -79.098
where: short stacking energy: -74.693
Base-Backbone interact. energy: -1.302
local terms energy: -235.189282
where:
bonds (distance) C4'-P energy: -74.447
bonds (distance) P-C4' energy: -60.420
flat angles C4'-P-C4' energy: -71.863
flat angles P-C4'-P energy: -40.801
tors. eta vs tors. theta energy: 12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1436.028905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.028905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.028905 (E_RNA)
where:
Base-Base interactions energy: -980.578
where: short stacking energy: -398.800
Base-Backbone interact. energy: -1.501
local terms energy: -453.949741
where:
bonds (distance) C4'-P energy: -81.394
bonds (distance) P-C4' energy: -84.082
flat angles C4'-P-C4' energy: -92.841
flat angles P-C4'-P energy: -64.340
tors. eta vs tors. theta energy: -131.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1345.444998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.444998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.444998 (E_RNA)
where:
Base-Base interactions energy: -921.353
where: short stacking energy: -378.273
Base-Backbone interact. energy: 0.063
local terms energy: -424.155215
where:
bonds (distance) C4'-P energy: -87.414
bonds (distance) P-C4' energy: -82.885
flat angles C4'-P-C4' energy: -77.131
flat angles P-C4'-P energy: -65.346
tors. eta vs tors. theta energy: -111.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1306.949825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.949825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.949825 (E_RNA)
where:
Base-Base interactions energy: -887.440
where: short stacking energy: -358.111
Base-Backbone interact. energy: -0.481
local terms energy: -419.029235
where:
bonds (distance) C4'-P energy: -83.738
bonds (distance) P-C4' energy: -83.352
flat angles C4'-P-C4' energy: -88.438
flat angles P-C4'-P energy: -53.116
tors. eta vs tors. theta energy: -110.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1181.044928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.044928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.044928 (E_RNA)
where:
Base-Base interactions energy: -797.358
where: short stacking energy: -351.611
Base-Backbone interact. energy: 0.572
local terms energy: -384.259478
where:
bonds (distance) C4'-P energy: -71.059
bonds (distance) P-C4' energy: -81.055
flat angles C4'-P-C4' energy: -79.457
flat angles P-C4'-P energy: -50.392
tors. eta vs tors. theta energy: -102.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1140.584496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.584496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.584496 (E_RNA)
where:
Base-Base interactions energy: -766.868
where: short stacking energy: -334.105
Base-Backbone interact. energy: 1.401
local terms energy: -375.117197
where:
bonds (distance) C4'-P energy: -62.659
bonds (distance) P-C4' energy: -82.804
flat angles C4'-P-C4' energy: -72.199
flat angles P-C4'-P energy: -61.146
tors. eta vs tors. theta energy: -96.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -974.256494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.256494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.256494 (E_RNA)
where:
Base-Base interactions energy: -647.184
where: short stacking energy: -264.864
Base-Backbone interact. energy: -0.952
local terms energy: -326.120816
where:
bonds (distance) C4'-P energy: -56.239
bonds (distance) P-C4' energy: -69.588
flat angles C4'-P-C4' energy: -84.365
flat angles P-C4'-P energy: -38.810
tors. eta vs tors. theta energy: -77.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -794.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.100411 (E_RNA)
where:
Base-Base interactions energy: -482.094
where: short stacking energy: -215.255
Base-Backbone interact. energy: -0.721
local terms energy: -311.285143
where:
bonds (distance) C4'-P energy: -73.823
bonds (distance) P-C4' energy: -60.907
flat angles C4'-P-C4' energy: -80.062
flat angles P-C4'-P energy: -34.717
tors. eta vs tors. theta energy: -61.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -485.129491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.129491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.129491 (E_RNA)
where:
Base-Base interactions energy: -262.404
where: short stacking energy: -149.391
Base-Backbone interact. energy: 0.309
local terms energy: -223.034578
where:
bonds (distance) C4'-P energy: -49.915
bonds (distance) P-C4' energy: -69.995
flat angles C4'-P-C4' energy: -62.503
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -442.009428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.009428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.009428 (E_RNA)
where:
Base-Base interactions energy: -213.794
where: short stacking energy: -132.762
Base-Backbone interact. energy: 1.310
local terms energy: -229.524896
where:
bonds (distance) C4'-P energy: -40.383
bonds (distance) P-C4' energy: -75.677
flat angles C4'-P-C4' energy: -62.251
flat angles P-C4'-P energy: -45.765
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -315.846135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.846135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.846135 (E_RNA)
where:
Base-Base interactions energy: -105.548
where: short stacking energy: -94.829
Base-Backbone interact. energy: -2.270
local terms energy: -208.028111
where:
bonds (distance) C4'-P energy: -70.807
bonds (distance) P-C4' energy: -62.636
flat angles C4'-P-C4' energy: -38.349
flat angles P-C4'-P energy: -34.765
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1410.432738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.432738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.432738 (E_RNA)
where:
Base-Base interactions energy: -967.009
where: short stacking energy: -398.386
Base-Backbone interact. energy: -1.288
local terms energy: -442.135354
where:
bonds (distance) C4'-P energy: -81.867
bonds (distance) P-C4' energy: -77.084
flat angles C4'-P-C4' energy: -98.854
flat angles P-C4'-P energy: -57.224
tors. eta vs tors. theta energy: -127.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1322.472533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.472533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.472533 (E_RNA)
where:
Base-Base interactions energy: -894.805
where: short stacking energy: -377.631
Base-Backbone interact. energy: -3.914
local terms energy: -423.753598
where:
bonds (distance) C4'-P energy: -73.904
bonds (distance) P-C4' energy: -77.620
flat angles C4'-P-C4' energy: -92.748
flat angles P-C4'-P energy: -57.615
tors. eta vs tors. theta energy: -121.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1322.355164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.355164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.355164 (E_RNA)
where:
Base-Base interactions energy: -917.494
where: short stacking energy: -374.100
Base-Backbone interact. energy: -3.367
local terms energy: -401.493838
where:
bonds (distance) C4'-P energy: -74.057
bonds (distance) P-C4' energy: -85.125
flat angles C4'-P-C4' energy: -83.044
flat angles P-C4'-P energy: -54.347
tors. eta vs tors. theta energy: -104.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1202.771519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.771519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.771519 (E_RNA)
where:
Base-Base interactions energy: -828.286
where: short stacking energy: -356.324
Base-Backbone interact. energy: -2.185
local terms energy: -372.300235
where:
bonds (distance) C4'-P energy: -69.218
bonds (distance) P-C4' energy: -80.937
flat angles C4'-P-C4' energy: -75.780
flat angles P-C4'-P energy: -45.336
tors. eta vs tors. theta energy: -101.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1151.670655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.670655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.670655 (E_RNA)
where:
Base-Base interactions energy: -754.258
where: short stacking energy: -328.981
Base-Backbone interact. energy: -2.841
local terms energy: -394.571841
where:
bonds (distance) C4'-P energy: -69.535
bonds (distance) P-C4' energy: -82.564
flat angles C4'-P-C4' energy: -78.431
flat angles P-C4'-P energy: -61.221
tors. eta vs tors. theta energy: -102.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1034.808758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.808758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.808758 (E_RNA)
where:
Base-Base interactions energy: -673.709
where: short stacking energy: -274.013
Base-Backbone interact. energy: -1.143
local terms energy: -359.956239
where:
bonds (distance) C4'-P energy: -69.344
bonds (distance) P-C4' energy: -67.445
flat angles C4'-P-C4' energy: -80.231
flat angles P-C4'-P energy: -59.781
tors. eta vs tors. theta energy: -83.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -787.421849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.421849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.421849 (E_RNA)
where:
Base-Base interactions energy: -471.507
where: short stacking energy: -217.952
Base-Backbone interact. energy: 1.387
local terms energy: -317.301751
where:
bonds (distance) C4'-P energy: -68.811
bonds (distance) P-C4' energy: -74.836
flat angles C4'-P-C4' energy: -65.688
flat angles P-C4'-P energy: -44.686
tors. eta vs tors. theta energy: -63.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -552.050786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.050786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.050786 (E_RNA)
where:
Base-Base interactions energy: -308.905
where: short stacking energy: -163.495
Base-Backbone interact. energy: -1.018
local terms energy: -242.127746
where:
bonds (distance) C4'-P energy: -63.571
bonds (distance) P-C4' energy: -66.433
flat angles C4'-P-C4' energy: -65.812
flat angles P-C4'-P energy: -33.604
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -422.472625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.472625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.472625 (E_RNA)
where:
Base-Base interactions energy: -232.051
where: short stacking energy: -133.333
Base-Backbone interact. energy: -0.588
local terms energy: -189.833456
where:
bonds (distance) C4'-P energy: -54.676
bonds (distance) P-C4' energy: -59.984
flat angles C4'-P-C4' energy: -56.539
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: 8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -301.992685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.992685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.992685 (E_RNA)
where:
Base-Base interactions energy: -100.183
where: short stacking energy: -73.534
Base-Backbone interact. energy: -1.584
local terms energy: -200.225785
where:
bonds (distance) C4'-P energy: -60.188
bonds (distance) P-C4' energy: -71.516
flat angles C4'-P-C4' energy: -53.730
flat angles P-C4'-P energy: -32.344
tors. eta vs tors. theta energy: 17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1407.607406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.607406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.607406 (E_RNA)
where:
Base-Base interactions energy: -953.242
where: short stacking energy: -414.597
Base-Backbone interact. energy: 0.349
local terms energy: -454.713759
where:
bonds (distance) C4'-P energy: -74.691
bonds (distance) P-C4' energy: -86.247
flat angles C4'-P-C4' energy: -92.121
flat angles P-C4'-P energy: -76.023
tors. eta vs tors. theta energy: -125.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1328.724443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.724443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.724443 (E_RNA)
where:
Base-Base interactions energy: -902.710
where: short stacking energy: -381.716
Base-Backbone interact. energy: -1.892
local terms energy: -424.122310
where:
bonds (distance) C4'-P energy: -65.889
bonds (distance) P-C4' energy: -77.423
flat angles C4'-P-C4' energy: -92.964
flat angles P-C4'-P energy: -59.821
tors. eta vs tors. theta energy: -128.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1298.804342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.804342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.804342 (E_RNA)
where:
Base-Base interactions energy: -906.207
where: short stacking energy: -361.950
Base-Backbone interact. energy: -1.222
local terms energy: -391.374644
where:
bonds (distance) C4'-P energy: -68.003
bonds (distance) P-C4' energy: -83.737
flat angles C4'-P-C4' energy: -87.689
flat angles P-C4'-P energy: -45.894
tors. eta vs tors. theta energy: -106.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1189.853289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.853289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.853289 (E_RNA)
where:
Base-Base interactions energy: -806.331
where: short stacking energy: -343.845
Base-Backbone interact. energy: -2.628
local terms energy: -380.894866
where:
bonds (distance) C4'-P energy: -64.455
bonds (distance) P-C4' energy: -83.525
flat angles C4'-P-C4' energy: -82.198
flat angles P-C4'-P energy: -58.133
tors. eta vs tors. theta energy: -92.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1050.683419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.683419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.683419 (E_RNA)
where:
Base-Base interactions energy: -715.139
where: short stacking energy: -279.864
Base-Backbone interact. energy: -3.279
local terms energy: -332.266040
where:
bonds (distance) C4'-P energy: -71.242
bonds (distance) P-C4' energy: -61.961
flat angles C4'-P-C4' energy: -70.548
flat angles P-C4'-P energy: -49.296
tors. eta vs tors. theta energy: -79.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1093.083076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.083076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.083076 (E_RNA)
where:
Base-Base interactions energy: -722.765
where: short stacking energy: -316.635
Base-Backbone interact. energy: -0.328
local terms energy: -369.990482
where:
bonds (distance) C4'-P energy: -60.892
bonds (distance) P-C4' energy: -83.431
flat angles C4'-P-C4' energy: -77.490
flat angles P-C4'-P energy: -47.298
tors. eta vs tors. theta energy: -100.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -792.457006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.457006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.457006 (E_RNA)
where:
Base-Base interactions energy: -486.745
where: short stacking energy: -211.750
Base-Backbone interact. energy: -2.011
local terms energy: -303.701388
where:
bonds (distance) C4'-P energy: -61.009
bonds (distance) P-C4' energy: -69.231
flat angles C4'-P-C4' energy: -65.998
flat angles P-C4'-P energy: -54.748
tors. eta vs tors. theta energy: -52.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -532.463623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.463623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.463623 (E_RNA)
where:
Base-Base interactions energy: -280.819
where: short stacking energy: -158.069
Base-Backbone interact. energy: -1.681
local terms energy: -249.963836
where:
bonds (distance) C4'-P energy: -55.859
bonds (distance) P-C4' energy: -53.735
flat angles C4'-P-C4' energy: -67.050
flat angles P-C4'-P energy: -51.701
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -341.670850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.670850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.670850 (E_RNA)
where:
Base-Base interactions energy: -122.481
where: short stacking energy: -94.196
Base-Backbone interact. energy: -3.669
local terms energy: -215.520592
where:
bonds (distance) C4'-P energy: -54.451
bonds (distance) P-C4' energy: -74.758
flat angles C4'-P-C4' energy: -55.572
flat angles P-C4'-P energy: -30.039
tors. eta vs tors. theta energy: -0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -431.008368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.008368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.008368 (E_RNA)
where:
Base-Base interactions energy: -243.841
where: short stacking energy: -113.619
Base-Backbone interact. energy: 3.687
local terms energy: -190.854982
where:
bonds (distance) C4'-P energy: -72.959
bonds (distance) P-C4' energy: -49.511
flat angles C4'-P-C4' energy: -60.696
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: 18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1420.195050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.195050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.195050 (E_RNA)
where:
Base-Base interactions energy: -955.612
where: short stacking energy: -399.461
Base-Backbone interact. energy: -0.509
local terms energy: -464.073926
where:
bonds (distance) C4'-P energy: -89.905
bonds (distance) P-C4' energy: -90.817
flat angles C4'-P-C4' energy: -97.329
flat angles P-C4'-P energy: -58.775
tors. eta vs tors. theta energy: -127.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1372.670337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.670337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.670337 (E_RNA)
where:
Base-Base interactions energy: -941.702
where: short stacking energy: -397.612
Base-Backbone interact. energy: 1.313
local terms energy: -432.281425
where:
bonds (distance) C4'-P energy: -80.404
bonds (distance) P-C4' energy: -73.429
flat angles C4'-P-C4' energy: -93.510
flat angles P-C4'-P energy: -57.272
tors. eta vs tors. theta energy: -127.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1308.682180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.682180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.682180 (E_RNA)
where:
Base-Base interactions energy: -919.209
where: short stacking energy: -357.503
Base-Backbone interact. energy: -0.523
local terms energy: -388.950299
where:
bonds (distance) C4'-P energy: -66.977
bonds (distance) P-C4' energy: -80.538
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -57.388
tors. eta vs tors. theta energy: -106.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1197.098028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.098028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.098028 (E_RNA)
where:
Base-Base interactions energy: -815.891
where: short stacking energy: -347.159
Base-Backbone interact. energy: -1.457
local terms energy: -379.749510
where:
bonds (distance) C4'-P energy: -58.556
bonds (distance) P-C4' energy: -76.487
flat angles C4'-P-C4' energy: -80.598
flat angles P-C4'-P energy: -59.137
tors. eta vs tors. theta energy: -104.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1083.656819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.656819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.656819 (E_RNA)
where:
Base-Base interactions energy: -720.799
where: short stacking energy: -324.472
Base-Backbone interact. energy: -0.807
local terms energy: -362.050818
where:
bonds (distance) C4'-P energy: -71.378
bonds (distance) P-C4' energy: -71.191
flat angles C4'-P-C4' energy: -74.376
flat angles P-C4'-P energy: -55.261
tors. eta vs tors. theta energy: -89.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1093.622104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.622104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.622104 (E_RNA)
where:
Base-Base interactions energy: -729.767
where: short stacking energy: -312.293
Base-Backbone interact. energy: -0.730
local terms energy: -363.125522
where:
bonds (distance) C4'-P energy: -66.590
bonds (distance) P-C4' energy: -74.324
flat angles C4'-P-C4' energy: -78.906
flat angles P-C4'-P energy: -46.516
tors. eta vs tors. theta energy: -96.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -792.497653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.497653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.497653 (E_RNA)
where:
Base-Base interactions energy: -480.993
where: short stacking energy: -219.448
Base-Backbone interact. energy: -0.679
local terms energy: -310.825431
where:
bonds (distance) C4'-P energy: -77.027
bonds (distance) P-C4' energy: -66.358
flat angles C4'-P-C4' energy: -68.918
flat angles P-C4'-P energy: -46.850
tors. eta vs tors. theta energy: -51.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -604.726303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.726303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.726303 (E_RNA)
where:
Base-Base interactions energy: -329.827
where: short stacking energy: -164.040
Base-Backbone interact. energy: 5.791
local terms energy: -280.690870
where:
bonds (distance) C4'-P energy: -59.447
bonds (distance) P-C4' energy: -80.470
flat angles C4'-P-C4' energy: -71.822
flat angles P-C4'-P energy: -38.360
tors. eta vs tors. theta energy: -30.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -338.480088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.480088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.480088 (E_RNA)
where:
Base-Base interactions energy: -124.321
where: short stacking energy: -77.411
Base-Backbone interact. energy: 1.172
local terms energy: -215.331351
where:
bonds (distance) C4'-P energy: -68.020
bonds (distance) P-C4' energy: -73.982
flat angles C4'-P-C4' energy: -59.030
flat angles P-C4'-P energy: -23.248
tors. eta vs tors. theta energy: 8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -455.058585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.058585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.058585 (E_RNA)
where:
Base-Base interactions energy: -211.054
where: short stacking energy: -112.220
Base-Backbone interact. energy: 2.452
local terms energy: -246.456419
where:
bonds (distance) C4'-P energy: -64.733
bonds (distance) P-C4' energy: -73.141
flat angles C4'-P-C4' energy: -60.771
flat angles P-C4'-P energy: -40.042
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1409.581385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.581385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.581385 (E_RNA)
where:
Base-Base interactions energy: -974.065
where: short stacking energy: -404.642
Base-Backbone interact. energy: -1.244
local terms energy: -434.272809
where:
bonds (distance) C4'-P energy: -79.214
bonds (distance) P-C4' energy: -81.685
flat angles C4'-P-C4' energy: -88.503
flat angles P-C4'-P energy: -59.660
tors. eta vs tors. theta energy: -125.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1362.252833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.252833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.252833 (E_RNA)
where:
Base-Base interactions energy: -929.635
where: short stacking energy: -394.304
Base-Backbone interact. energy: -2.251
local terms energy: -430.367540
where:
bonds (distance) C4'-P energy: -76.632
bonds (distance) P-C4' energy: -71.882
flat angles C4'-P-C4' energy: -93.905
flat angles P-C4'-P energy: -57.261
tors. eta vs tors. theta energy: -130.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1332.766437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.766437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.766437 (E_RNA)
where:
Base-Base interactions energy: -928.810
where: short stacking energy: -380.764
Base-Backbone interact. energy: -1.419
local terms energy: -402.537229
where:
bonds (distance) C4'-P energy: -74.683
bonds (distance) P-C4' energy: -72.612
flat angles C4'-P-C4' energy: -90.407
flat angles P-C4'-P energy: -56.439
tors. eta vs tors. theta energy: -108.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1206.948712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.948712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.948712 (E_RNA)
where:
Base-Base interactions energy: -822.824
where: short stacking energy: -358.669
Base-Backbone interact. energy: -0.230
local terms energy: -383.895215
where:
bonds (distance) C4'-P energy: -72.279
bonds (distance) P-C4' energy: -79.491
flat angles C4'-P-C4' energy: -77.732
flat angles P-C4'-P energy: -48.751
tors. eta vs tors. theta energy: -105.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1134.913323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.913323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.913323 (E_RNA)
where:
Base-Base interactions energy: -782.881
where: short stacking energy: -318.931
Base-Backbone interact. energy: -1.942
local terms energy: -350.090533
where:
bonds (distance) C4'-P energy: -65.362
bonds (distance) P-C4' energy: -73.394
flat angles C4'-P-C4' energy: -69.301
flat angles P-C4'-P energy: -60.922
tors. eta vs tors. theta energy: -81.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -996.234285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.234285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.234285 (E_RNA)
where:
Base-Base interactions energy: -649.020
where: short stacking energy: -284.845
Base-Backbone interact. energy: -1.573
local terms energy: -345.641345
where:
bonds (distance) C4'-P energy: -82.068
bonds (distance) P-C4' energy: -61.910
flat angles C4'-P-C4' energy: -83.447
flat angles P-C4'-P energy: -48.305
tors. eta vs tors. theta energy: -69.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -814.957629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.957629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.957629 (E_RNA)
where:
Base-Base interactions energy: -506.371
where: short stacking energy: -226.579
Base-Backbone interact. energy: 4.338
local terms energy: -312.924537
where:
bonds (distance) C4'-P energy: -65.046
bonds (distance) P-C4' energy: -72.359
flat angles C4'-P-C4' energy: -71.995
flat angles P-C4'-P energy: -46.460
tors. eta vs tors. theta energy: -57.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -577.233569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.233569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.233569 (E_RNA)
where:
Base-Base interactions energy: -316.761
where: short stacking energy: -159.727
Base-Backbone interact. energy: 0.951
local terms energy: -261.423503
where:
bonds (distance) C4'-P energy: -80.697
bonds (distance) P-C4' energy: -76.099
flat angles C4'-P-C4' energy: -49.962
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -432.501028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.501028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.501028 (E_RNA)
where:
Base-Base interactions energy: -191.257
where: short stacking energy: -135.379
Base-Backbone interact. energy: -1.444
local terms energy: -239.799709
where:
bonds (distance) C4'-P energy: -63.672
bonds (distance) P-C4' energy: -72.442
flat angles C4'-P-C4' energy: -65.408
flat angles P-C4'-P energy: -28.327
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -317.966577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.966577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.966577 (E_RNA)
where:
Base-Base interactions energy: -123.857
where: short stacking energy: -93.588
Base-Backbone interact. energy: -2.174
local terms energy: -191.935831
where:
bonds (distance) C4'-P energy: -51.764
bonds (distance) P-C4' energy: -69.292
flat angles C4'-P-C4' energy: -64.954
flat angles P-C4'-P energy: -29.858
tors. eta vs tors. theta energy: 23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1406.592237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.592237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.592237 (E_RNA)
where:
Base-Base interactions energy: -971.212
where: short stacking energy: -386.658
Base-Backbone interact. energy: -4.043
local terms energy: -431.337089
where:
bonds (distance) C4'-P energy: -75.149
bonds (distance) P-C4' energy: -77.863
flat angles C4'-P-C4' energy: -89.460
flat angles P-C4'-P energy: -64.806
tors. eta vs tors. theta energy: -124.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1332.524990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.524990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.524990 (E_RNA)
where:
Base-Base interactions energy: -898.022
where: short stacking energy: -377.938
Base-Backbone interact. energy: -1.971
local terms energy: -432.532048
where:
bonds (distance) C4'-P energy: -78.473
bonds (distance) P-C4' energy: -77.107
flat angles C4'-P-C4' energy: -92.141
flat angles P-C4'-P energy: -56.962
tors. eta vs tors. theta energy: -127.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1333.165165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.165165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.165165 (E_RNA)
where:
Base-Base interactions energy: -926.791
where: short stacking energy: -387.596
Base-Backbone interact. energy: -2.775
local terms energy: -403.599260
where:
bonds (distance) C4'-P energy: -69.508
bonds (distance) P-C4' energy: -69.589
flat angles C4'-P-C4' energy: -86.487
flat angles P-C4'-P energy: -60.365
tors. eta vs tors. theta energy: -117.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1216.064069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.064069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.064069 (E_RNA)
where:
Base-Base interactions energy: -851.316
where: short stacking energy: -361.331
Base-Backbone interact. energy: -0.868
local terms energy: -363.879651
where:
bonds (distance) C4'-P energy: -73.990
bonds (distance) P-C4' energy: -72.770
flat angles C4'-P-C4' energy: -69.393
flat angles P-C4'-P energy: -50.025
tors. eta vs tors. theta energy: -97.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1118.262776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.262776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.262776 (E_RNA)
where:
Base-Base interactions energy: -729.665
where: short stacking energy: -296.270
Base-Backbone interact. energy: 0.345
local terms energy: -388.942924
where:
bonds (distance) C4'-P energy: -78.743
bonds (distance) P-C4' energy: -85.423
flat angles C4'-P-C4' energy: -86.852
flat angles P-C4'-P energy: -56.681
tors. eta vs tors. theta energy: -81.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1031.814756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.814756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.814756 (E_RNA)
where:
Base-Base interactions energy: -692.559
where: short stacking energy: -289.675
Base-Backbone interact. energy: -1.785
local terms energy: -337.470446
where:
bonds (distance) C4'-P energy: -59.474
bonds (distance) P-C4' energy: -73.254
flat angles C4'-P-C4' energy: -79.731
flat angles P-C4'-P energy: -43.669
tors. eta vs tors. theta energy: -81.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -773.235004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.235004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.235004 (E_RNA)
where:
Base-Base interactions energy: -468.380
where: short stacking energy: -225.024
Base-Backbone interact. energy: -1.487
local terms energy: -303.368296
where:
bonds (distance) C4'-P energy: -67.309
bonds (distance) P-C4' energy: -81.899
flat angles C4'-P-C4' energy: -57.459
flat angles P-C4'-P energy: -55.798
tors. eta vs tors. theta energy: -40.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -625.219997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.219997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.219997 (E_RNA)
where:
Base-Base interactions energy: -360.045
where: short stacking energy: -172.911
Base-Backbone interact. energy: -1.735
local terms energy: -263.439716
where:
bonds (distance) C4'-P energy: -60.372
bonds (distance) P-C4' energy: -76.792
flat angles C4'-P-C4' energy: -64.278
flat angles P-C4'-P energy: -36.009
tors. eta vs tors. theta energy: -25.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -436.116711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.116711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.116711 (E_RNA)
where:
Base-Base interactions energy: -202.092
where: short stacking energy: -99.994
Base-Backbone interact. energy: 0.970
local terms energy: -234.994442
where:
bonds (distance) C4'-P energy: -67.864
bonds (distance) P-C4' energy: -72.652
flat angles C4'-P-C4' energy: -57.560
flat angles P-C4'-P energy: -35.396
tors. eta vs tors. theta energy: -1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -319.127177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.127177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.127177 (E_RNA)
where:
Base-Base interactions energy: -88.737
where: short stacking energy: -80.639
Base-Backbone interact. energy: -2.336
local terms energy: -228.054728
where:
bonds (distance) C4'-P energy: -69.475
bonds (distance) P-C4' energy: -61.429
flat angles C4'-P-C4' energy: -63.287
flat angles P-C4'-P energy: -40.961
tors. eta vs tors. theta energy: 7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1409.952611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.952611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.952611 (E_RNA)
where:
Base-Base interactions energy: -960.816
where: short stacking energy: -400.565
Base-Backbone interact. energy: -0.936
local terms energy: -448.201357
where:
bonds (distance) C4'-P energy: -78.170
bonds (distance) P-C4' energy: -87.648
flat angles C4'-P-C4' energy: -91.454
flat angles P-C4'-P energy: -59.696
tors. eta vs tors. theta energy: -131.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1349.120020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.120020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.120020 (E_RNA)
where:
Base-Base interactions energy: -927.855
where: short stacking energy: -394.731
Base-Backbone interact. energy: -1.376
local terms energy: -419.889248
where:
bonds (distance) C4'-P energy: -77.214
bonds (distance) P-C4' energy: -83.914
flat angles C4'-P-C4' energy: -85.876
flat angles P-C4'-P energy: -54.430
tors. eta vs tors. theta energy: -118.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1326.168817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.168817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.168817 (E_RNA)
where:
Base-Base interactions energy: -921.991
where: short stacking energy: -365.230
Base-Backbone interact. energy: 1.176
local terms energy: -405.354224
where:
bonds (distance) C4'-P energy: -75.973
bonds (distance) P-C4' energy: -75.021
flat angles C4'-P-C4' energy: -87.074
flat angles P-C4'-P energy: -56.788
tors. eta vs tors. theta energy: -110.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1225.786775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.786775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.786775 (E_RNA)
where:
Base-Base interactions energy: -832.901
where: short stacking energy: -352.843
Base-Backbone interact. energy: -1.256
local terms energy: -391.629704
where:
bonds (distance) C4'-P energy: -70.911
bonds (distance) P-C4' energy: -70.383
flat angles C4'-P-C4' energy: -89.264
flat angles P-C4'-P energy: -53.700
tors. eta vs tors. theta energy: -107.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1082.142177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.142177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.142177 (E_RNA)
where:
Base-Base interactions energy: -724.411
where: short stacking energy: -279.755
Base-Backbone interact. energy: 0.996
local terms energy: -358.727776
where:
bonds (distance) C4'-P energy: -80.195
bonds (distance) P-C4' energy: -68.585
flat angles C4'-P-C4' energy: -77.836
flat angles P-C4'-P energy: -52.755
tors. eta vs tors. theta energy: -79.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1064.288043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.288043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.288043 (E_RNA)
where:
Base-Base interactions energy: -707.481
where: short stacking energy: -315.485
Base-Backbone interact. energy: -0.078
local terms energy: -356.728522
where:
bonds (distance) C4'-P energy: -71.753
bonds (distance) P-C4' energy: -75.986
flat angles C4'-P-C4' energy: -80.729
flat angles P-C4'-P energy: -48.908
tors. eta vs tors. theta energy: -79.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -773.655784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.655784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.655784 (E_RNA)
where:
Base-Base interactions energy: -467.185
where: short stacking energy: -234.464
Base-Backbone interact. energy: 3.517
local terms energy: -309.987419
where:
bonds (distance) C4'-P energy: -73.651
bonds (distance) P-C4' energy: -68.692
flat angles C4'-P-C4' energy: -66.935
flat angles P-C4'-P energy: -46.061
tors. eta vs tors. theta energy: -54.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -610.788519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.788519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.788519 (E_RNA)
where:
Base-Base interactions energy: -356.725
where: short stacking energy: -194.238
Base-Backbone interact. energy: -1.078
local terms energy: -252.984724
where:
bonds (distance) C4'-P energy: -64.388
bonds (distance) P-C4' energy: -61.236
flat angles C4'-P-C4' energy: -64.621
flat angles P-C4'-P energy: -31.880
tors. eta vs tors. theta energy: -30.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -407.050405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.050405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.050405 (E_RNA)
where:
Base-Base interactions energy: -198.800
where: short stacking energy: -118.303
Base-Backbone interact. energy: 2.017
local terms energy: -210.268098
where:
bonds (distance) C4'-P energy: -54.667
bonds (distance) P-C4' energy: -75.529
flat angles C4'-P-C4' energy: -48.100
flat angles P-C4'-P energy: -32.351
tors. eta vs tors. theta energy: 0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -328.778385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.778385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.778385 (E_RNA)
where:
Base-Base interactions energy: -105.423
where: short stacking energy: -90.697
Base-Backbone interact. energy: 2.074
local terms energy: -225.430276
where:
bonds (distance) C4'-P energy: -75.969
bonds (distance) P-C4' energy: -64.172
flat angles C4'-P-C4' energy: -67.849
flat angles P-C4'-P energy: -32.858
tors. eta vs tors. theta energy: 15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1428.361046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.361046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.361046 (E_RNA)
where:
Base-Base interactions energy: -980.470
where: short stacking energy: -419.531
Base-Backbone interact. energy: -1.653
local terms energy: -446.237825
where:
bonds (distance) C4'-P energy: -75.673
bonds (distance) P-C4' energy: -82.640
flat angles C4'-P-C4' energy: -96.278
flat angles P-C4'-P energy: -54.489
tors. eta vs tors. theta energy: -137.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1325.168047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.168047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.168047 (E_RNA)
where:
Base-Base interactions energy: -920.037
where: short stacking energy: -402.613
Base-Backbone interact. energy: -1.440
local terms energy: -403.691245
where:
bonds (distance) C4'-P energy: -73.433
bonds (distance) P-C4' energy: -64.806
flat angles C4'-P-C4' energy: -85.079
flat angles P-C4'-P energy: -59.684
tors. eta vs tors. theta energy: -120.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1298.257687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.257687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.257687 (E_RNA)
where:
Base-Base interactions energy: -895.924
where: short stacking energy: -357.005
Base-Backbone interact. energy: -0.632
local terms energy: -401.702334
where:
bonds (distance) C4'-P energy: -81.000
bonds (distance) P-C4' energy: -79.302
flat angles C4'-P-C4' energy: -85.302
flat angles P-C4'-P energy: -58.380
tors. eta vs tors. theta energy: -97.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1222.622751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.622751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.622751 (E_RNA)
where:
Base-Base interactions energy: -841.834
where: short stacking energy: -352.257
Base-Backbone interact. energy: -1.837
local terms energy: -378.951633
where:
bonds (distance) C4'-P energy: -67.665
bonds (distance) P-C4' energy: -74.554
flat angles C4'-P-C4' energy: -90.596
flat angles P-C4'-P energy: -48.089
tors. eta vs tors. theta energy: -98.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1107.419101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.419101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.419101 (E_RNA)
where:
Base-Base interactions energy: -772.852
where: short stacking energy: -318.420
Base-Backbone interact. energy: -2.068
local terms energy: -332.498472
where:
bonds (distance) C4'-P energy: -64.759
bonds (distance) P-C4' energy: -75.082
flat angles C4'-P-C4' energy: -62.656
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -90.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1095.439237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.439237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.439237 (E_RNA)
where:
Base-Base interactions energy: -737.928
where: short stacking energy: -333.484
Base-Backbone interact. energy: -0.590
local terms energy: -356.921512
where:
bonds (distance) C4'-P energy: -71.508
bonds (distance) P-C4' energy: -73.368
flat angles C4'-P-C4' energy: -62.939
flat angles P-C4'-P energy: -57.261
tors. eta vs tors. theta energy: -91.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -831.544399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.544399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.544399 (E_RNA)
where:
Base-Base interactions energy: -530.177
where: short stacking energy: -228.227
Base-Backbone interact. energy: -0.851
local terms energy: -300.516213
where:
bonds (distance) C4'-P energy: -63.436
bonds (distance) P-C4' energy: -75.455
flat angles C4'-P-C4' energy: -64.120
flat angles P-C4'-P energy: -49.035
tors. eta vs tors. theta energy: -48.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -538.645075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.645075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.645075 (E_RNA)
where:
Base-Base interactions energy: -294.904
where: short stacking energy: -132.031
Base-Backbone interact. energy: 1.247
local terms energy: -244.987475
where:
bonds (distance) C4'-P energy: -64.941
bonds (distance) P-C4' energy: -65.147
flat angles C4'-P-C4' energy: -58.400
flat angles P-C4'-P energy: -42.604
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -427.889986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.889986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.889986 (E_RNA)
where:
Base-Base interactions energy: -190.402
where: short stacking energy: -136.936
Base-Backbone interact. energy: -1.834
local terms energy: -235.654221
where:
bonds (distance) C4'-P energy: -62.724
bonds (distance) P-C4' energy: -77.648
flat angles C4'-P-C4' energy: -44.933
flat angles P-C4'-P energy: -37.669
tors. eta vs tors. theta energy: -12.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -308.925568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.925568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.925568 (E_RNA)
where:
Base-Base interactions energy: -99.763
where: short stacking energy: -80.610
Base-Backbone interact. energy: -0.534
local terms energy: -208.627838
where:
bonds (distance) C4'-P energy: -61.447
bonds (distance) P-C4' energy: -68.885
flat angles C4'-P-C4' energy: -69.564
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: 19.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1416.470660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.470660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.470660 (E_RNA)
where:
Base-Base interactions energy: -970.353
where: short stacking energy: -410.951
Base-Backbone interact. energy: 1.226
local terms energy: -447.344186
where:
bonds (distance) C4'-P energy: -83.933
bonds (distance) P-C4' energy: -85.657
flat angles C4'-P-C4' energy: -96.338
flat angles P-C4'-P energy: -55.272
tors. eta vs tors. theta energy: -126.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1331.485872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.485872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.485872 (E_RNA)
where:
Base-Base interactions energy: -925.116
where: short stacking energy: -376.531
Base-Backbone interact. energy: -0.772
local terms energy: -405.598582
where:
bonds (distance) C4'-P energy: -75.428
bonds (distance) P-C4' energy: -70.469
flat angles C4'-P-C4' energy: -84.310
flat angles P-C4'-P energy: -58.249
tors. eta vs tors. theta energy: -117.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1281.694809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.694809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.694809 (E_RNA)
where:
Base-Base interactions energy: -894.271
where: short stacking energy: -338.574
Base-Backbone interact. energy: -1.146
local terms energy: -386.277914
where:
bonds (distance) C4'-P energy: -76.889
bonds (distance) P-C4' energy: -88.934
flat angles C4'-P-C4' energy: -79.283
flat angles P-C4'-P energy: -53.208
tors. eta vs tors. theta energy: -87.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1225.859296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.859296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.859296 (E_RNA)
where:
Base-Base interactions energy: -832.042
where: short stacking energy: -340.489
Base-Backbone interact. energy: -1.907
local terms energy: -391.909901
where:
bonds (distance) C4'-P energy: -76.658
bonds (distance) P-C4' energy: -77.937
flat angles C4'-P-C4' energy: -76.679
flat angles P-C4'-P energy: -62.791
tors. eta vs tors. theta energy: -97.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1099.380636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.380636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.380636 (E_RNA)
where:
Base-Base interactions energy: -736.311
where: short stacking energy: -311.006
Base-Backbone interact. energy: -1.278
local terms energy: -361.791715
where:
bonds (distance) C4'-P energy: -63.124
bonds (distance) P-C4' energy: -72.012
flat angles C4'-P-C4' energy: -84.994
flat angles P-C4'-P energy: -47.683
tors. eta vs tors. theta energy: -93.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1029.803625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.803625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.803625 (E_RNA)
where:
Base-Base interactions energy: -674.533
where: short stacking energy: -272.255
Base-Backbone interact. energy: 0.260
local terms energy: -355.531000
where:
bonds (distance) C4'-P energy: -71.401
bonds (distance) P-C4' energy: -72.573
flat angles C4'-P-C4' energy: -67.332
flat angles P-C4'-P energy: -56.508
tors. eta vs tors. theta energy: -87.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -837.236959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.236959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.236959 (E_RNA)
where:
Base-Base interactions energy: -536.729
where: short stacking energy: -239.330
Base-Backbone interact. energy: -1.453
local terms energy: -299.054773
where:
bonds (distance) C4'-P energy: -63.562
bonds (distance) P-C4' energy: -67.479
flat angles C4'-P-C4' energy: -74.386
flat angles P-C4'-P energy: -34.434
tors. eta vs tors. theta energy: -59.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -571.138039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.138039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.138039 (E_RNA)
where:
Base-Base interactions energy: -310.222
where: short stacking energy: -176.286
Base-Backbone interact. energy: -0.559
local terms energy: -260.356658
where:
bonds (distance) C4'-P energy: -58.188
bonds (distance) P-C4' energy: -73.470
flat angles C4'-P-C4' energy: -53.994
flat angles P-C4'-P energy: -40.926
tors. eta vs tors. theta energy: -33.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -423.840458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.840458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.840458 (E_RNA)
where:
Base-Base interactions energy: -198.626
where: short stacking energy: -105.490
Base-Backbone interact. energy: 0.859
local terms energy: -226.073211
where:
bonds (distance) C4'-P energy: -66.132
bonds (distance) P-C4' energy: -56.945
flat angles C4'-P-C4' energy: -62.268
flat angles P-C4'-P energy: -42.550
tors. eta vs tors. theta energy: 1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -314.163932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.163932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.163932 (E_RNA)
where:
Base-Base interactions energy: -100.158
where: short stacking energy: -84.545
Base-Backbone interact. energy: 2.378
local terms energy: -216.384492
where:
bonds (distance) C4'-P energy: -62.356
bonds (distance) P-C4' energy: -72.277
flat angles C4'-P-C4' energy: -66.929
flat angles P-C4'-P energy: -29.618
tors. eta vs tors. theta energy: 14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1399.397594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.397594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.397594 (E_RNA)
where:
Base-Base interactions energy: -960.338
where: short stacking energy: -384.838
Base-Backbone interact. energy: -1.703
local terms energy: -437.356531
where:
bonds (distance) C4'-P energy: -79.711
bonds (distance) P-C4' energy: -86.418
flat angles C4'-P-C4' energy: -93.008
flat angles P-C4'-P energy: -55.125
tors. eta vs tors. theta energy: -123.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1348.483335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.483335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.483335 (E_RNA)
where:
Base-Base interactions energy: -904.671
where: short stacking energy: -380.022
Base-Backbone interact. energy: -1.816
local terms energy: -441.996365
where:
bonds (distance) C4'-P energy: -92.501
bonds (distance) P-C4' energy: -88.838
flat angles C4'-P-C4' energy: -77.112
flat angles P-C4'-P energy: -61.305
tors. eta vs tors. theta energy: -122.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1291.637041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.637041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.637041 (E_RNA)
where:
Base-Base interactions energy: -918.306
where: short stacking energy: -341.876
Base-Backbone interact. energy: -1.110
local terms energy: -372.221397
where:
bonds (distance) C4'-P energy: -76.759
bonds (distance) P-C4' energy: -71.649
flat angles C4'-P-C4' energy: -69.957
flat angles P-C4'-P energy: -61.396
tors. eta vs tors. theta energy: -92.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1249.372894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.372894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.372894 (E_RNA)
where:
Base-Base interactions energy: -852.497
where: short stacking energy: -341.828
Base-Backbone interact. energy: -2.630
local terms energy: -394.245801
where:
bonds (distance) C4'-P energy: -69.953
bonds (distance) P-C4' energy: -84.469
flat angles C4'-P-C4' energy: -86.706
flat angles P-C4'-P energy: -49.962
tors. eta vs tors. theta energy: -103.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1113.970232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.970232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.970232 (E_RNA)
where:
Base-Base interactions energy: -749.786
where: short stacking energy: -324.605
Base-Backbone interact. energy: 4.208
local terms energy: -368.392428
where:
bonds (distance) C4'-P energy: -69.509
bonds (distance) P-C4' energy: -69.993
flat angles C4'-P-C4' energy: -89.200
flat angles P-C4'-P energy: -41.577
tors. eta vs tors. theta energy: -98.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1011.783605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.783605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.783605 (E_RNA)
where:
Base-Base interactions energy: -639.849
where: short stacking energy: -271.942
Base-Backbone interact. energy: 1.647
local terms energy: -373.582110
where:
bonds (distance) C4'-P energy: -75.155
bonds (distance) P-C4' energy: -78.976
flat angles C4'-P-C4' energy: -76.933
flat angles P-C4'-P energy: -61.244
tors. eta vs tors. theta energy: -81.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -838.468250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.468250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.468250 (E_RNA)
where:
Base-Base interactions energy: -530.130
where: short stacking energy: -250.941
Base-Backbone interact. energy: -1.064
local terms energy: -307.274168
where:
bonds (distance) C4'-P energy: -67.393
bonds (distance) P-C4' energy: -60.026
flat angles C4'-P-C4' energy: -71.672
flat angles P-C4'-P energy: -47.131
tors. eta vs tors. theta energy: -61.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -602.823804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.823804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.823804 (E_RNA)
where:
Base-Base interactions energy: -355.155
where: short stacking energy: -181.264
Base-Backbone interact. energy: -0.551
local terms energy: -247.117179
where:
bonds (distance) C4'-P energy: -59.446
bonds (distance) P-C4' energy: -67.702
flat angles C4'-P-C4' energy: -65.646
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -30.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -402.418428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.418428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.418428 (E_RNA)
where:
Base-Base interactions energy: -189.952
where: short stacking energy: -119.881
Base-Backbone interact. energy: 6.895
local terms energy: -219.361964
where:
bonds (distance) C4'-P energy: -65.077
bonds (distance) P-C4' energy: -67.175
flat angles C4'-P-C4' energy: -53.729
flat angles P-C4'-P energy: -29.615
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -346.062658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.062658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.062658 (E_RNA)
where:
Base-Base interactions energy: -114.536
where: short stacking energy: -78.824
Base-Backbone interact. energy: 5.941
local terms energy: -237.468011
where:
bonds (distance) C4'-P energy: -70.846
bonds (distance) P-C4' energy: -58.122
flat angles C4'-P-C4' energy: -70.874
flat angles P-C4'-P energy: -37.945
tors. eta vs tors. theta energy: 0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1392.410812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.410812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.410812 (E_RNA)
where:
Base-Base interactions energy: -972.688
where: short stacking energy: -411.364
Base-Backbone interact. energy: 0.925
local terms energy: -420.647999
where:
bonds (distance) C4'-P energy: -77.142
bonds (distance) P-C4' energy: -76.613
flat angles C4'-P-C4' energy: -91.016
flat angles P-C4'-P energy: -51.348
tors. eta vs tors. theta energy: -124.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1298.904364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.904364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.904364 (E_RNA)
where:
Base-Base interactions energy: -871.984
where: short stacking energy: -357.646
Base-Backbone interact. energy: -0.375
local terms energy: -426.544898
where:
bonds (distance) C4'-P energy: -77.611
bonds (distance) P-C4' energy: -75.707
flat angles C4'-P-C4' energy: -94.052
flat angles P-C4'-P energy: -61.757
tors. eta vs tors. theta energy: -117.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1282.380492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.380492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.380492 (E_RNA)
where:
Base-Base interactions energy: -873.248
where: short stacking energy: -384.252
Base-Backbone interact. energy: -1.507
local terms energy: -407.625352
where:
bonds (distance) C4'-P energy: -79.035
bonds (distance) P-C4' energy: -73.805
flat angles C4'-P-C4' energy: -82.671
flat angles P-C4'-P energy: -58.370
tors. eta vs tors. theta energy: -113.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1240.158131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.158131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.158131 (E_RNA)
where:
Base-Base interactions energy: -862.719
where: short stacking energy: -321.697
Base-Backbone interact. energy: -3.146
local terms energy: -374.293330
where:
bonds (distance) C4'-P energy: -71.649
bonds (distance) P-C4' energy: -77.405
flat angles C4'-P-C4' energy: -78.256
flat angles P-C4'-P energy: -51.993
tors. eta vs tors. theta energy: -94.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1092.608116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.608116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.608116 (E_RNA)
where:
Base-Base interactions energy: -722.986
where: short stacking energy: -318.775
Base-Backbone interact. energy: -0.774
local terms energy: -368.848076
where:
bonds (distance) C4'-P energy: -66.093
bonds (distance) P-C4' energy: -77.982
flat angles C4'-P-C4' energy: -88.050
flat angles P-C4'-P energy: -43.171
tors. eta vs tors. theta energy: -93.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1023.201327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.201327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.201327 (E_RNA)
where:
Base-Base interactions energy: -674.154
where: short stacking energy: -291.840
Base-Backbone interact. energy: -1.381
local terms energy: -347.666093
where:
bonds (distance) C4'-P energy: -80.332
bonds (distance) P-C4' energy: -59.101
flat angles C4'-P-C4' energy: -77.344
flat angles P-C4'-P energy: -46.565
tors. eta vs tors. theta energy: -84.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -840.529601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.529601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.529601 (E_RNA)
where:
Base-Base interactions energy: -536.049
where: short stacking energy: -214.560
Base-Backbone interact. energy: 1.364
local terms energy: -305.845021
where:
bonds (distance) C4'-P energy: -64.615
bonds (distance) P-C4' energy: -68.687
flat angles C4'-P-C4' energy: -71.407
flat angles P-C4'-P energy: -48.105
tors. eta vs tors. theta energy: -53.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -560.275726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.275726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.275726 (E_RNA)
where:
Base-Base interactions energy: -296.540
where: short stacking energy: -148.546
Base-Backbone interact. energy: -1.859
local terms energy: -261.876561
where:
bonds (distance) C4'-P energy: -85.806
bonds (distance) P-C4' energy: -74.782
flat angles C4'-P-C4' energy: -60.726
flat angles P-C4'-P energy: -29.426
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -449.209140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.209140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.209140 (E_RNA)
where:
Base-Base interactions energy: -223.582
where: short stacking energy: -122.818
Base-Backbone interact. energy: -2.702
local terms energy: -222.925389
where:
bonds (distance) C4'-P energy: -48.534
bonds (distance) P-C4' energy: -88.722
flat angles C4'-P-C4' energy: -56.392
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -335.206565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.206565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.206565 (E_RNA)
where:
Base-Base interactions energy: -106.099
where: short stacking energy: -85.805
Base-Backbone interact. energy: -0.988
local terms energy: -228.119147
where:
bonds (distance) C4'-P energy: -58.452
bonds (distance) P-C4' energy: -84.495
flat angles C4'-P-C4' energy: -47.911
flat angles P-C4'-P energy: -39.366
tors. eta vs tors. theta energy: 2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1415.937978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.937978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.937978 (E_RNA)
where:
Base-Base interactions energy: -978.859
where: short stacking energy: -431.781
Base-Backbone interact. energy: -3.847
local terms energy: -433.231495
where:
bonds (distance) C4'-P energy: -76.345
bonds (distance) P-C4' energy: -74.778
flat angles C4'-P-C4' energy: -93.207
flat angles P-C4'-P energy: -61.110
tors. eta vs tors. theta energy: -127.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1345.187315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.187315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.187315 (E_RNA)
where:
Base-Base interactions energy: -916.890
where: short stacking energy: -389.996
Base-Backbone interact. energy: -3.894
local terms energy: -424.402817
where:
bonds (distance) C4'-P energy: -84.664
bonds (distance) P-C4' energy: -79.827
flat angles C4'-P-C4' energy: -77.082
flat angles P-C4'-P energy: -70.923
tors. eta vs tors. theta energy: -111.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1268.051506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.051506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.051506 (E_RNA)
where:
Base-Base interactions energy: -865.016
where: short stacking energy: -373.601
Base-Backbone interact. energy: 0.465
local terms energy: -403.500319
where:
bonds (distance) C4'-P energy: -73.158
bonds (distance) P-C4' energy: -78.774
flat angles C4'-P-C4' energy: -83.842
flat angles P-C4'-P energy: -55.680
tors. eta vs tors. theta energy: -112.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1297.151515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.151515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.151515 (E_RNA)
where:
Base-Base interactions energy: -915.849
where: short stacking energy: -360.652
Base-Backbone interact. energy: -1.099
local terms energy: -380.203416
where:
bonds (distance) C4'-P energy: -71.583
bonds (distance) P-C4' energy: -75.313
flat angles C4'-P-C4' energy: -84.057
flat angles P-C4'-P energy: -44.527
tors. eta vs tors. theta energy: -104.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1112.220598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.220598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.220598 (E_RNA)
where:
Base-Base interactions energy: -757.755
where: short stacking energy: -315.310
Base-Backbone interact. energy: 5.238
local terms energy: -359.704250
where:
bonds (distance) C4'-P energy: -65.113
bonds (distance) P-C4' energy: -70.939
flat angles C4'-P-C4' energy: -83.985
flat angles P-C4'-P energy: -52.060
tors. eta vs tors. theta energy: -87.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1054.575835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.575835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.575835 (E_RNA)
where:
Base-Base interactions energy: -710.370
where: short stacking energy: -295.906
Base-Backbone interact. energy: -0.317
local terms energy: -343.888595
where:
bonds (distance) C4'-P energy: -66.691
bonds (distance) P-C4' energy: -75.551
flat angles C4'-P-C4' energy: -73.600
flat angles P-C4'-P energy: -48.186
tors. eta vs tors. theta energy: -79.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -845.849575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.849575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.849575 (E_RNA)
where:
Base-Base interactions energy: -536.053
where: short stacking energy: -233.825
Base-Backbone interact. energy: -1.996
local terms energy: -307.800913
where:
bonds (distance) C4'-P energy: -66.811
bonds (distance) P-C4' energy: -76.829
flat angles C4'-P-C4' energy: -72.069
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: -68.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -574.148645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.148645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.148645 (E_RNA)
where:
Base-Base interactions energy: -295.630
where: short stacking energy: -165.170
Base-Backbone interact. energy: -1.569
local terms energy: -276.949019
where:
bonds (distance) C4'-P energy: -64.306
bonds (distance) P-C4' energy: -77.031
flat angles C4'-P-C4' energy: -64.176
flat angles P-C4'-P energy: -46.519
tors. eta vs tors. theta energy: -24.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -425.432895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.432895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.432895 (E_RNA)
where:
Base-Base interactions energy: -195.163
where: short stacking energy: -106.411
Base-Backbone interact. energy: -1.613
local terms energy: -228.656926
where:
bonds (distance) C4'-P energy: -56.176
bonds (distance) P-C4' energy: -71.319
flat angles C4'-P-C4' energy: -58.841
flat angles P-C4'-P energy: -39.710
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -310.626955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.626955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.626955 (E_RNA)
where:
Base-Base interactions energy: -106.626
where: short stacking energy: -93.223
Base-Backbone interact. energy: 1.010
local terms energy: -205.011123
where:
bonds (distance) C4'-P energy: -54.555
bonds (distance) P-C4' energy: -66.794
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: 1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1420.848590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.848590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.848590 (E_RNA)
where:
Base-Base interactions energy: -974.239
where: short stacking energy: -405.680
Base-Backbone interact. energy: -1.559
local terms energy: -445.051213
where:
bonds (distance) C4'-P energy: -80.094
bonds (distance) P-C4' energy: -80.302
flat angles C4'-P-C4' energy: -92.688
flat angles P-C4'-P energy: -63.204
tors. eta vs tors. theta energy: -128.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1337.962059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.962059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.962059 (E_RNA)
where:
Base-Base interactions energy: -913.857
where: short stacking energy: -390.420
Base-Backbone interact. energy: -2.167
local terms energy: -421.938221
where:
bonds (distance) C4'-P energy: -70.556
bonds (distance) P-C4' energy: -79.389
flat angles C4'-P-C4' energy: -91.656
flat angles P-C4'-P energy: -55.170
tors. eta vs tors. theta energy: -125.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1301.167357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.167357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.167357 (E_RNA)
where:
Base-Base interactions energy: -918.376
where: short stacking energy: -381.218
Base-Backbone interact. energy: 2.834
local terms energy: -385.625556
where:
bonds (distance) C4'-P energy: -63.401
bonds (distance) P-C4' energy: -73.920
flat angles C4'-P-C4' energy: -78.531
flat angles P-C4'-P energy: -61.475
tors. eta vs tors. theta energy: -108.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1234.494071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.494071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.494071 (E_RNA)
where:
Base-Base interactions energy: -838.249
where: short stacking energy: -354.308
Base-Backbone interact. energy: 0.274
local terms energy: -396.518433
where:
bonds (distance) C4'-P energy: -75.681
bonds (distance) P-C4' energy: -77.218
flat angles C4'-P-C4' energy: -80.888
flat angles P-C4'-P energy: -52.391
tors. eta vs tors. theta energy: -110.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1085.926429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.926429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.926429 (E_RNA)
where:
Base-Base interactions energy: -726.694
where: short stacking energy: -288.120
Base-Backbone interact. energy: 1.026
local terms energy: -360.258873
where:
bonds (distance) C4'-P energy: -65.865
bonds (distance) P-C4' energy: -74.459
flat angles C4'-P-C4' energy: -86.292
flat angles P-C4'-P energy: -55.555
tors. eta vs tors. theta energy: -78.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1049.671563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.671563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.671563 (E_RNA)
where:
Base-Base interactions energy: -685.832
where: short stacking energy: -294.430
Base-Backbone interact. energy: 1.137
local terms energy: -364.976034
where:
bonds (distance) C4'-P energy: -66.699
bonds (distance) P-C4' energy: -79.334
flat angles C4'-P-C4' energy: -78.842
flat angles P-C4'-P energy: -47.242
tors. eta vs tors. theta energy: -92.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -865.371316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.371316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.371316 (E_RNA)
where:
Base-Base interactions energy: -544.662
where: short stacking energy: -254.243
Base-Backbone interact. energy: 1.067
local terms energy: -321.776200
where:
bonds (distance) C4'-P energy: -70.937
bonds (distance) P-C4' energy: -55.695
flat angles C4'-P-C4' energy: -75.360
flat angles P-C4'-P energy: -49.081
tors. eta vs tors. theta energy: -70.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -586.348684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.348684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.348684 (E_RNA)
where:
Base-Base interactions energy: -331.570
where: short stacking energy: -173.013
Base-Backbone interact. energy: -0.507
local terms energy: -254.271508
where:
bonds (distance) C4'-P energy: -55.914
bonds (distance) P-C4' energy: -72.869
flat angles C4'-P-C4' energy: -58.414
flat angles P-C4'-P energy: -36.361
tors. eta vs tors. theta energy: -30.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -448.917116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.917116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.917116 (E_RNA)
where:
Base-Base interactions energy: -207.477
where: short stacking energy: -135.677
Base-Backbone interact. energy: -2.039
local terms energy: -239.401048
where:
bonds (distance) C4'-P energy: -64.420
bonds (distance) P-C4' energy: -75.038
flat angles C4'-P-C4' energy: -61.239
flat angles P-C4'-P energy: -39.328
tors. eta vs tors. theta energy: 0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -324.730930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.730930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.730930 (E_RNA)
where:
Base-Base interactions energy: -112.294
where: short stacking energy: -88.624
Base-Backbone interact. energy: 3.793
local terms energy: -216.230330
where:
bonds (distance) C4'-P energy: -59.681
bonds (distance) P-C4' energy: -78.428
flat angles C4'-P-C4' energy: -51.563
flat angles P-C4'-P energy: -35.118
tors. eta vs tors. theta energy: 8.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1401.675341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.675341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.675341 (E_RNA)
where:
Base-Base interactions energy: -955.284
where: short stacking energy: -397.905
Base-Backbone interact. energy: -0.673
local terms energy: -445.717833
where:
bonds (distance) C4'-P energy: -85.633
bonds (distance) P-C4' energy: -79.910
flat angles C4'-P-C4' energy: -92.529
flat angles P-C4'-P energy: -67.335
tors. eta vs tors. theta energy: -120.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1345.075683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.075683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.075683 (E_RNA)
where:
Base-Base interactions energy: -905.820
where: short stacking energy: -378.382
Base-Backbone interact. energy: -0.574
local terms energy: -438.681699
where:
bonds (distance) C4'-P energy: -76.284
bonds (distance) P-C4' energy: -85.985
flat angles C4'-P-C4' energy: -88.858
flat angles P-C4'-P energy: -67.745
tors. eta vs tors. theta energy: -119.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1314.326338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.326338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.326338 (E_RNA)
where:
Base-Base interactions energy: -911.268
where: short stacking energy: -344.411
Base-Backbone interact. energy: 1.025
local terms energy: -404.083510
where:
bonds (distance) C4'-P energy: -73.385
bonds (distance) P-C4' energy: -76.359
flat angles C4'-P-C4' energy: -86.824
flat angles P-C4'-P energy: -64.209
tors. eta vs tors. theta energy: -103.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1206.021708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.021708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.021708 (E_RNA)
where:
Base-Base interactions energy: -827.844
where: short stacking energy: -361.409
Base-Backbone interact. energy: -1.887
local terms energy: -376.290670
where:
bonds (distance) C4'-P energy: -72.992
bonds (distance) P-C4' energy: -67.672
flat angles C4'-P-C4' energy: -80.968
flat angles P-C4'-P energy: -45.455
tors. eta vs tors. theta energy: -109.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1125.692686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.692686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.692686 (E_RNA)
where:
Base-Base interactions energy: -755.734
where: short stacking energy: -323.991
Base-Backbone interact. energy: -3.908
local terms energy: -366.051119
where:
bonds (distance) C4'-P energy: -69.740
bonds (distance) P-C4' energy: -71.182
flat angles C4'-P-C4' energy: -86.602
flat angles P-C4'-P energy: -42.496
tors. eta vs tors. theta energy: -96.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1049.792611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.792611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.792611 (E_RNA)
where:
Base-Base interactions energy: -689.777
where: short stacking energy: -293.566
Base-Backbone interact. energy: -0.679
local terms energy: -359.336011
where:
bonds (distance) C4'-P energy: -75.303
bonds (distance) P-C4' energy: -71.976
flat angles C4'-P-C4' energy: -77.949
flat angles P-C4'-P energy: -38.751
tors. eta vs tors. theta energy: -95.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -864.100891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.100891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.100891 (E_RNA)
where:
Base-Base interactions energy: -541.942
where: short stacking energy: -246.323
Base-Backbone interact. energy: 2.662
local terms energy: -324.820542
where:
bonds (distance) C4'-P energy: -76.369
bonds (distance) P-C4' energy: -70.815
flat angles C4'-P-C4' energy: -70.322
flat angles P-C4'-P energy: -45.334
tors. eta vs tors. theta energy: -61.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -621.896994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.896994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.896994 (E_RNA)
where:
Base-Base interactions energy: -362.685
where: short stacking energy: -181.121
Base-Backbone interact. energy: -1.415
local terms energy: -257.797795
where:
bonds (distance) C4'-P energy: -67.020
bonds (distance) P-C4' energy: -62.858
flat angles C4'-P-C4' energy: -59.558
flat angles P-C4'-P energy: -39.859
tors. eta vs tors. theta energy: -28.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -426.740209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.740209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.740209 (E_RNA)
where:
Base-Base interactions energy: -178.506
where: short stacking energy: -116.081
Base-Backbone interact. energy: -0.060
local terms energy: -248.174733
where:
bonds (distance) C4'-P energy: -74.413
bonds (distance) P-C4' energy: -69.515
flat angles C4'-P-C4' energy: -60.247
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -307.497829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.497829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.497829 (E_RNA)
where:
Base-Base interactions energy: -96.064
where: short stacking energy: -85.168
Base-Backbone interact. energy: 5.071
local terms energy: -216.504933
where:
bonds (distance) C4'-P energy: -63.533
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -58.225
flat angles P-C4'-P energy: -38.662
tors. eta vs tors. theta energy: 4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1421.358180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.358180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.358180 (E_RNA)
where:
Base-Base interactions energy: -996.009
where: short stacking energy: -409.716
Base-Backbone interact. energy: -1.578
local terms energy: -423.770803
where:
bonds (distance) C4'-P energy: -66.144
bonds (distance) P-C4' energy: -77.327
flat angles C4'-P-C4' energy: -90.474
flat angles P-C4'-P energy: -64.252
tors. eta vs tors. theta energy: -125.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1320.430774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.430774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.430774 (E_RNA)
where:
Base-Base interactions energy: -909.125
where: short stacking energy: -405.363
Base-Backbone interact. energy: -3.894
local terms energy: -407.411098
where:
bonds (distance) C4'-P energy: -65.806
bonds (distance) P-C4' energy: -67.666
flat angles C4'-P-C4' energy: -93.765
flat angles P-C4'-P energy: -60.453
tors. eta vs tors. theta energy: -119.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1293.329436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.329436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.329436 (E_RNA)
where:
Base-Base interactions energy: -905.620
where: short stacking energy: -380.545
Base-Backbone interact. energy: -2.704
local terms energy: -385.005207
where:
bonds (distance) C4'-P energy: -61.835
bonds (distance) P-C4' energy: -77.698
flat angles C4'-P-C4' energy: -78.741
flat angles P-C4'-P energy: -54.015
tors. eta vs tors. theta energy: -112.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1188.949857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.949857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.949857 (E_RNA)
where:
Base-Base interactions energy: -810.479
where: short stacking energy: -351.446
Base-Backbone interact. energy: -0.204
local terms energy: -378.267109
where:
bonds (distance) C4'-P energy: -67.004
bonds (distance) P-C4' energy: -67.028
flat angles C4'-P-C4' energy: -85.229
flat angles P-C4'-P energy: -54.589
tors. eta vs tors. theta energy: -104.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1151.445041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.445041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.445041 (E_RNA)
where:
Base-Base interactions energy: -788.023
where: short stacking energy: -310.479
Base-Backbone interact. energy: -0.220
local terms energy: -363.202114
where:
bonds (distance) C4'-P energy: -75.769
bonds (distance) P-C4' energy: -76.581
flat angles C4'-P-C4' energy: -66.664
flat angles P-C4'-P energy: -44.631
tors. eta vs tors. theta energy: -99.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1073.742426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.742426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.742426 (E_RNA)
where:
Base-Base interactions energy: -721.880
where: short stacking energy: -332.306
Base-Backbone interact. energy: -3.883
local terms energy: -347.979902
where:
bonds (distance) C4'-P energy: -67.659
bonds (distance) P-C4' energy: -71.673
flat angles C4'-P-C4' energy: -69.270
flat angles P-C4'-P energy: -56.819
tors. eta vs tors. theta energy: -82.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -848.473099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.473099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.473099 (E_RNA)
where:
Base-Base interactions energy: -513.440
where: short stacking energy: -222.891
Base-Backbone interact. energy: -0.626
local terms energy: -334.406566
where:
bonds (distance) C4'-P energy: -76.620
bonds (distance) P-C4' energy: -74.435
flat angles C4'-P-C4' energy: -75.934
flat angles P-C4'-P energy: -54.089
tors. eta vs tors. theta energy: -53.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -571.650501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.650501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.650501 (E_RNA)
where:
Base-Base interactions energy: -335.288
where: short stacking energy: -148.739
Base-Backbone interact. energy: -0.782
local terms energy: -235.580317
where:
bonds (distance) C4'-P energy: -45.495
bonds (distance) P-C4' energy: -67.618
flat angles C4'-P-C4' energy: -75.263
flat angles P-C4'-P energy: -36.932
tors. eta vs tors. theta energy: -10.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -353.241326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.241326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.241326 (E_RNA)
where:
Base-Base interactions energy: -128.787
where: short stacking energy: -109.657
Base-Backbone interact. energy: 5.787
local terms energy: -230.240764
where:
bonds (distance) C4'-P energy: -64.527
bonds (distance) P-C4' energy: -46.319
flat angles C4'-P-C4' energy: -81.432
flat angles P-C4'-P energy: -41.360
tors. eta vs tors. theta energy: 3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -382.403538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.403538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.403538 (E_RNA)
where:
Base-Base interactions energy: -176.458
where: short stacking energy: -104.761
Base-Backbone interact. energy: 0.771
local terms energy: -206.717119
where:
bonds (distance) C4'-P energy: -68.863
bonds (distance) P-C4' energy: -71.232
flat angles C4'-P-C4' energy: -60.448
flat angles P-C4'-P energy: -24.832
tors. eta vs tors. theta energy: 18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1413.420610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.420610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.420610 (E_RNA)
where:
Base-Base interactions energy: -967.984
where: short stacking energy: -399.562
Base-Backbone interact. energy: 0.560
local terms energy: -445.997157
where:
bonds (distance) C4'-P energy: -87.966
bonds (distance) P-C4' energy: -86.902
flat angles C4'-P-C4' energy: -95.647
flat angles P-C4'-P energy: -55.127
tors. eta vs tors. theta energy: -120.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1322.814970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.814970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.814970 (E_RNA)
where:
Base-Base interactions energy: -905.589
where: short stacking energy: -379.610
Base-Backbone interact. energy: 1.279
local terms energy: -418.505673
where:
bonds (distance) C4'-P energy: -77.147
bonds (distance) P-C4' energy: -73.208
flat angles C4'-P-C4' energy: -88.297
flat angles P-C4'-P energy: -60.102
tors. eta vs tors. theta energy: -119.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1289.755579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.755579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.755579 (E_RNA)
where:
Base-Base interactions energy: -914.301
where: short stacking energy: -359.053
Base-Backbone interact. energy: 3.121
local terms energy: -378.574990
where:
bonds (distance) C4'-P energy: -71.296
bonds (distance) P-C4' energy: -69.363
flat angles C4'-P-C4' energy: -74.548
flat angles P-C4'-P energy: -62.294
tors. eta vs tors. theta energy: -101.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1214.116814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.116814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.116814 (E_RNA)
where:
Base-Base interactions energy: -807.995
where: short stacking energy: -332.412
Base-Backbone interact. energy: -2.653
local terms energy: -403.468627
where:
bonds (distance) C4'-P energy: -76.859
bonds (distance) P-C4' energy: -83.892
flat angles C4'-P-C4' energy: -76.781
flat angles P-C4'-P energy: -58.662
tors. eta vs tors. theta energy: -107.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1132.479069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.479069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.479069 (E_RNA)
where:
Base-Base interactions energy: -767.084
where: short stacking energy: -310.207
Base-Backbone interact. energy: -3.035
local terms energy: -362.359874
where:
bonds (distance) C4'-P energy: -68.421
bonds (distance) P-C4' energy: -75.689
flat angles C4'-P-C4' energy: -69.183
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -99.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1043.990810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.990810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.990810 (E_RNA)
where:
Base-Base interactions energy: -697.293
where: short stacking energy: -292.402
Base-Backbone interact. energy: -0.417
local terms energy: -346.280094
where:
bonds (distance) C4'-P energy: -60.795
bonds (distance) P-C4' energy: -77.782
flat angles C4'-P-C4' energy: -86.690
flat angles P-C4'-P energy: -45.418
tors. eta vs tors. theta energy: -75.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -776.852349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.852349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.852349 (E_RNA)
where:
Base-Base interactions energy: -493.831
where: short stacking energy: -225.883
Base-Backbone interact. energy: 1.611
local terms energy: -284.631943
where:
bonds (distance) C4'-P energy: -59.976
bonds (distance) P-C4' energy: -74.054
flat angles C4'-P-C4' energy: -68.773
flat angles P-C4'-P energy: -34.150
tors. eta vs tors. theta energy: -47.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -563.485831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.485831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.485831 (E_RNA)
where:
Base-Base interactions energy: -329.893
where: short stacking energy: -156.213
Base-Backbone interact. energy: -2.062
local terms energy: -231.531620
where:
bonds (distance) C4'-P energy: -62.163
bonds (distance) P-C4' energy: -63.654
flat angles C4'-P-C4' energy: -66.093
flat angles P-C4'-P energy: -34.070
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -335.966989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.966989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.966989 (E_RNA)
where:
Base-Base interactions energy: -103.526
where: short stacking energy: -97.496
Base-Backbone interact. energy: -0.224
local terms energy: -232.217378
where:
bonds (distance) C4'-P energy: -67.137
bonds (distance) P-C4' energy: -74.111
flat angles C4'-P-C4' energy: -66.088
flat angles P-C4'-P energy: -31.594
tors. eta vs tors. theta energy: 6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -412.433271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.433271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.433271 (E_RNA)
where:
Base-Base interactions energy: -209.091
where: short stacking energy: -120.562
Base-Backbone interact. energy: -1.162
local terms energy: -202.180077
where:
bonds (distance) C4'-P energy: -59.153
bonds (distance) P-C4' energy: -64.290
flat angles C4'-P-C4' energy: -48.808
flat angles P-C4'-P energy: -33.912
tors. eta vs tors. theta energy: 3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1416.842919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.842919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.842919 (E_RNA)
where:
Base-Base interactions energy: -985.573
where: short stacking energy: -413.509
Base-Backbone interact. energy: -1.339
local terms energy: -429.930242
where:
bonds (distance) C4'-P energy: -82.130
bonds (distance) P-C4' energy: -78.371
flat angles C4'-P-C4' energy: -91.168
flat angles P-C4'-P energy: -51.553
tors. eta vs tors. theta energy: -126.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1343.842443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.842443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.842443 (E_RNA)
where:
Base-Base interactions energy: -931.249
where: short stacking energy: -380.075
Base-Backbone interact. energy: 2.091
local terms energy: -414.684359
where:
bonds (distance) C4'-P energy: -77.134
bonds (distance) P-C4' energy: -77.985
flat angles C4'-P-C4' energy: -81.925
flat angles P-C4'-P energy: -54.971
tors. eta vs tors. theta energy: -122.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1302.028425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.028425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.028425 (E_RNA)
where:
Base-Base interactions energy: -895.108
where: short stacking energy: -353.092
Base-Backbone interact. energy: 1.405
local terms energy: -408.325927
where:
bonds (distance) C4'-P energy: -83.258
bonds (distance) P-C4' energy: -78.135
flat angles C4'-P-C4' energy: -81.787
flat angles P-C4'-P energy: -54.751
tors. eta vs tors. theta energy: -110.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1233.577667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.577667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.577667 (E_RNA)
where:
Base-Base interactions energy: -839.408
where: short stacking energy: -360.861
Base-Backbone interact. energy: -1.350
local terms energy: -392.819341
where:
bonds (distance) C4'-P energy: -75.442
bonds (distance) P-C4' energy: -71.617
flat angles C4'-P-C4' energy: -78.964
flat angles P-C4'-P energy: -57.290
tors. eta vs tors. theta energy: -109.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1193.284648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.284648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.284648 (E_RNA)
where:
Base-Base interactions energy: -801.618
where: short stacking energy: -321.227
Base-Backbone interact. energy: -1.630
local terms energy: -390.036134
where:
bonds (distance) C4'-P energy: -71.266
bonds (distance) P-C4' energy: -80.806
flat angles C4'-P-C4' energy: -72.604
flat angles P-C4'-P energy: -61.563
tors. eta vs tors. theta energy: -103.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1035.885799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.885799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.885799 (E_RNA)
where:
Base-Base interactions energy: -698.573
where: short stacking energy: -297.914
Base-Backbone interact. energy: -1.023
local terms energy: -336.290145
where:
bonds (distance) C4'-P energy: -65.751
bonds (distance) P-C4' energy: -65.004
flat angles C4'-P-C4' energy: -76.659
flat angles P-C4'-P energy: -56.131
tors. eta vs tors. theta energy: -72.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -761.477033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.477033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.477033 (E_RNA)
where:
Base-Base interactions energy: -469.948
where: short stacking energy: -242.871
Base-Backbone interact. energy: -1.121
local terms energy: -290.408215
where:
bonds (distance) C4'-P energy: -67.616
bonds (distance) P-C4' energy: -74.148
flat angles C4'-P-C4' energy: -62.942
flat angles P-C4'-P energy: -40.852
tors. eta vs tors. theta energy: -44.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -627.823088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.823088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.823088 (E_RNA)
where:
Base-Base interactions energy: -358.447
where: short stacking energy: -178.885
Base-Backbone interact. energy: -2.208
local terms energy: -267.167492
where:
bonds (distance) C4'-P energy: -68.834
bonds (distance) P-C4' energy: -60.345
flat angles C4'-P-C4' energy: -78.730
flat angles P-C4'-P energy: -38.385
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -417.148477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.148477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.148477 (E_RNA)
where:
Base-Base interactions energy: -190.575
where: short stacking energy: -135.890
Base-Backbone interact. energy: 0.406
local terms energy: -226.979227
where:
bonds (distance) C4'-P energy: -55.505
bonds (distance) P-C4' energy: -65.057
flat angles C4'-P-C4' energy: -47.225
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -321.751572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.751572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.751572 (E_RNA)
where:
Base-Base interactions energy: -113.479
where: short stacking energy: -99.070
Base-Backbone interact. energy: -0.760
local terms energy: -207.512894
where:
bonds (distance) C4'-P energy: -74.456
bonds (distance) P-C4' energy: -65.400
flat angles C4'-P-C4' energy: -42.095
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: 5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1392.308999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.308999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.308999 (E_RNA)
where:
Base-Base interactions energy: -962.059
where: short stacking energy: -393.758
Base-Backbone interact. energy: -0.768
local terms energy: -429.481831
where:
bonds (distance) C4'-P energy: -78.525
bonds (distance) P-C4' energy: -78.654
flat angles C4'-P-C4' energy: -85.950
flat angles P-C4'-P energy: -60.601
tors. eta vs tors. theta energy: -125.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1328.516681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.516681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.516681 (E_RNA)
where:
Base-Base interactions energy: -917.842
where: short stacking energy: -367.027
Base-Backbone interact. energy: 1.478
local terms energy: -412.152039
where:
bonds (distance) C4'-P energy: -76.165
bonds (distance) P-C4' energy: -66.675
flat angles C4'-P-C4' energy: -96.342
flat angles P-C4'-P energy: -62.239
tors. eta vs tors. theta energy: -110.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1304.265028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.265028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.265028 (E_RNA)
where:
Base-Base interactions energy: -876.057
where: short stacking energy: -369.677
Base-Backbone interact. energy: -2.979
local terms energy: -425.228918
where:
bonds (distance) C4'-P energy: -74.677
bonds (distance) P-C4' energy: -83.309
flat angles C4'-P-C4' energy: -87.480
flat angles P-C4'-P energy: -63.787
tors. eta vs tors. theta energy: -115.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1213.145349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.145349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.145349 (E_RNA)
where:
Base-Base interactions energy: -837.596
where: short stacking energy: -361.005
Base-Backbone interact. energy: -1.357
local terms energy: -374.192658
where:
bonds (distance) C4'-P energy: -63.921
bonds (distance) P-C4' energy: -80.857
flat angles C4'-P-C4' energy: -84.885
flat angles P-C4'-P energy: -33.854
tors. eta vs tors. theta energy: -110.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1218.853671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.853671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.853671 (E_RNA)
where:
Base-Base interactions energy: -828.026
where: short stacking energy: -352.580
Base-Backbone interact. energy: -0.944
local terms energy: -389.883612
where:
bonds (distance) C4'-P energy: -75.447
bonds (distance) P-C4' energy: -78.541
flat angles C4'-P-C4' energy: -71.048
flat angles P-C4'-P energy: -52.793
tors. eta vs tors. theta energy: -112.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1036.163935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.163935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.163935 (E_RNA)
where:
Base-Base interactions energy: -672.940
where: short stacking energy: -307.966
Base-Backbone interact. energy: 0.242
local terms energy: -363.465804
where:
bonds (distance) C4'-P energy: -76.770
bonds (distance) P-C4' energy: -75.050
flat angles C4'-P-C4' energy: -69.120
flat angles P-C4'-P energy: -55.227
tors. eta vs tors. theta energy: -87.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -771.406242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.406242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.406242 (E_RNA)
where:
Base-Base interactions energy: -477.392
where: short stacking energy: -213.255
Base-Backbone interact. energy: 2.844
local terms energy: -296.858912
where:
bonds (distance) C4'-P energy: -63.661
bonds (distance) P-C4' energy: -80.052
flat angles C4'-P-C4' energy: -61.173
flat angles P-C4'-P energy: -42.816
tors. eta vs tors. theta energy: -49.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -666.911328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.911328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.911328 (E_RNA)
where:
Base-Base interactions energy: -397.344
where: short stacking energy: -191.616
Base-Backbone interact. energy: 2.386
local terms energy: -271.953497
where:
bonds (distance) C4'-P energy: -61.247
bonds (distance) P-C4' energy: -73.365
flat angles C4'-P-C4' energy: -66.162
flat angles P-C4'-P energy: -35.917
tors. eta vs tors. theta energy: -35.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -435.744259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.744259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.744259 (E_RNA)
where:
Base-Base interactions energy: -215.587
where: short stacking energy: -143.319
Base-Backbone interact. energy: -0.959
local terms energy: -219.198598
where:
bonds (distance) C4'-P energy: -73.007
bonds (distance) P-C4' energy: -66.638
flat angles C4'-P-C4' energy: -38.153
flat angles P-C4'-P energy: -35.908
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -319.448477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.448477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.448477 (E_RNA)
where:
Base-Base interactions energy: -128.385
where: short stacking energy: -100.388
Base-Backbone interact. energy: 4.713
local terms energy: -195.776917
where:
bonds (distance) C4'-P energy: -65.625
bonds (distance) P-C4' energy: -76.214
flat angles C4'-P-C4' energy: -47.416
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: 14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1394.077796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.077796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.077796 (E_RNA)
where:
Base-Base interactions energy: -964.575
where: short stacking energy: -404.689
Base-Backbone interact. energy: 1.029
local terms energy: -430.531413
where:
bonds (distance) C4'-P energy: -72.080
bonds (distance) P-C4' energy: -78.042
flat angles C4'-P-C4' energy: -96.767
flat angles P-C4'-P energy: -57.116
tors. eta vs tors. theta energy: -126.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1315.886939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.886939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.886939 (E_RNA)
where:
Base-Base interactions energy: -897.471
where: short stacking energy: -376.775
Base-Backbone interact. energy: -3.139
local terms energy: -415.277196
where:
bonds (distance) C4'-P energy: -85.734
bonds (distance) P-C4' energy: -85.424
flat angles C4'-P-C4' energy: -76.709
flat angles P-C4'-P energy: -52.838
tors. eta vs tors. theta energy: -114.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1307.734455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.734455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.734455 (E_RNA)
where:
Base-Base interactions energy: -879.739
where: short stacking energy: -359.801
Base-Backbone interact. energy: -0.067
local terms energy: -427.928881
where:
bonds (distance) C4'-P energy: -78.721
bonds (distance) P-C4' energy: -81.138
flat angles C4'-P-C4' energy: -87.377
flat angles P-C4'-P energy: -63.518
tors. eta vs tors. theta energy: -117.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1212.054919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.054919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.054919 (E_RNA)
where:
Base-Base interactions energy: -824.634
where: short stacking energy: -363.495
Base-Backbone interact. energy: -1.781
local terms energy: -385.639454
where:
bonds (distance) C4'-P energy: -71.394
bonds (distance) P-C4' energy: -73.989
flat angles C4'-P-C4' energy: -78.394
flat angles P-C4'-P energy: -59.115
tors. eta vs tors. theta energy: -102.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1195.392403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.392403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.392403 (E_RNA)
where:
Base-Base interactions energy: -825.721
where: short stacking energy: -342.837
Base-Backbone interact. energy: -0.457
local terms energy: -369.214611
where:
bonds (distance) C4'-P energy: -64.914
bonds (distance) P-C4' energy: -53.859
flat angles C4'-P-C4' energy: -81.786
flat angles P-C4'-P energy: -49.631
tors. eta vs tors. theta energy: -119.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1074.973509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.973509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.973509 (E_RNA)
where:
Base-Base interactions energy: -718.914
where: short stacking energy: -303.252
Base-Backbone interact. energy: 0.851
local terms energy: -356.910991
where:
bonds (distance) C4'-P energy: -62.541
bonds (distance) P-C4' energy: -73.352
flat angles C4'-P-C4' energy: -71.920
flat angles P-C4'-P energy: -49.806
tors. eta vs tors. theta energy: -99.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -752.354116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.354116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.354116 (E_RNA)
where:
Base-Base interactions energy: -455.533
where: short stacking energy: -211.365
Base-Backbone interact. energy: -1.613
local terms energy: -295.207508
where:
bonds (distance) C4'-P energy: -66.393
bonds (distance) P-C4' energy: -72.604
flat angles C4'-P-C4' energy: -68.064
flat angles P-C4'-P energy: -37.835
tors. eta vs tors. theta energy: -50.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -666.530863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.530863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.530863 (E_RNA)
where:
Base-Base interactions energy: -401.500
where: short stacking energy: -185.046
Base-Backbone interact. energy: 3.686
local terms energy: -268.717265
where:
bonds (distance) C4'-P energy: -76.869
bonds (distance) P-C4' energy: -74.687
flat angles C4'-P-C4' energy: -55.487
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -36.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -443.137477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.137477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.137477 (E_RNA)
where:
Base-Base interactions energy: -228.086
where: short stacking energy: -136.820
Base-Backbone interact. energy: -0.508
local terms energy: -214.544019
where:
bonds (distance) C4'-P energy: -64.446
bonds (distance) P-C4' energy: -63.944
flat angles C4'-P-C4' energy: -64.041
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -336.801087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.801087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.801087 (E_RNA)
where:
Base-Base interactions energy: -135.163
where: short stacking energy: -80.621
Base-Backbone interact. energy: -1.395
local terms energy: -200.242566
where:
bonds (distance) C4'-P energy: -53.172
bonds (distance) P-C4' energy: -66.424
flat angles C4'-P-C4' energy: -56.017
flat angles P-C4'-P energy: -32.563
tors. eta vs tors. theta energy: 7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1409.979998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.979998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.979998 (E_RNA)
where:
Base-Base interactions energy: -977.067
where: short stacking energy: -415.659
Base-Backbone interact. energy: 0.941
local terms energy: -433.854394
where:
bonds (distance) C4'-P energy: -85.011
bonds (distance) P-C4' energy: -74.797
flat angles C4'-P-C4' energy: -89.926
flat angles P-C4'-P energy: -55.024
tors. eta vs tors. theta energy: -129.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1342.089496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.089496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.089496 (E_RNA)
where:
Base-Base interactions energy: -905.233
where: short stacking energy: -380.264
Base-Backbone interact. energy: 0.431
local terms energy: -437.287484
where:
bonds (distance) C4'-P energy: -78.522
bonds (distance) P-C4' energy: -86.030
flat angles C4'-P-C4' energy: -95.598
flat angles P-C4'-P energy: -50.230
tors. eta vs tors. theta energy: -126.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1295.178050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.178050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.178050 (E_RNA)
where:
Base-Base interactions energy: -915.995
where: short stacking energy: -358.501
Base-Backbone interact. energy: -3.567
local terms energy: -375.616123
where:
bonds (distance) C4'-P energy: -60.135
bonds (distance) P-C4' energy: -82.953
flat angles C4'-P-C4' energy: -74.572
flat angles P-C4'-P energy: -49.584
tors. eta vs tors. theta energy: -108.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1225.665142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.665142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.665142 (E_RNA)
where:
Base-Base interactions energy: -853.628
where: short stacking energy: -351.222
Base-Backbone interact. energy: -1.123
local terms energy: -370.914149
where:
bonds (distance) C4'-P energy: -73.159
bonds (distance) P-C4' energy: -70.584
flat angles C4'-P-C4' energy: -82.942
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -104.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1197.336049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.336049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.336049 (E_RNA)
where:
Base-Base interactions energy: -824.927
where: short stacking energy: -342.861
Base-Backbone interact. energy: -1.525
local terms energy: -370.884087
where:
bonds (distance) C4'-P energy: -61.805
bonds (distance) P-C4' energy: -74.671
flat angles C4'-P-C4' energy: -76.612
flat angles P-C4'-P energy: -45.558
tors. eta vs tors. theta energy: -112.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1089.103355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.103355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.103355 (E_RNA)
where:
Base-Base interactions energy: -736.489
where: short stacking energy: -307.032
Base-Backbone interact. energy: 4.346
local terms energy: -356.960749
where:
bonds (distance) C4'-P energy: -66.190
bonds (distance) P-C4' energy: -80.725
flat angles C4'-P-C4' energy: -83.223
flat angles P-C4'-P energy: -37.781
tors. eta vs tors. theta energy: -89.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -761.250826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.250826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.250826 (E_RNA)
where:
Base-Base interactions energy: -444.574
where: short stacking energy: -200.307
Base-Backbone interact. energy: -0.781
local terms energy: -315.895239
where:
bonds (distance) C4'-P energy: -75.448
bonds (distance) P-C4' energy: -63.265
flat angles C4'-P-C4' energy: -83.650
flat angles P-C4'-P energy: -42.112
tors. eta vs tors. theta energy: -51.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -627.298719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.298719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.298719 (E_RNA)
where:
Base-Base interactions energy: -363.389
where: short stacking energy: -175.206
Base-Backbone interact. energy: -1.778
local terms energy: -262.132371
where:
bonds (distance) C4'-P energy: -66.829
bonds (distance) P-C4' energy: -74.080
flat angles C4'-P-C4' energy: -69.382
flat angles P-C4'-P energy: -32.501
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -404.087400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.087400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.087400 (E_RNA)
where:
Base-Base interactions energy: -176.827
where: short stacking energy: -121.116
Base-Backbone interact. energy: 1.573
local terms energy: -228.833110
where:
bonds (distance) C4'-P energy: -60.248
bonds (distance) P-C4' energy: -60.935
flat angles C4'-P-C4' energy: -61.921
flat angles P-C4'-P energy: -38.138
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -307.665516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.665516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.665516 (E_RNA)
where:
Base-Base interactions energy: -112.489
where: short stacking energy: -80.912
Base-Backbone interact. energy: -1.110
local terms energy: -194.066995
where:
bonds (distance) C4'-P energy: -59.780
bonds (distance) P-C4' energy: -64.873
flat angles C4'-P-C4' energy: -47.882
flat angles P-C4'-P energy: -28.846
tors. eta vs tors. theta energy: 7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1399.893739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.893739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.893739 (E_RNA)
where:
Base-Base interactions energy: -964.798
where: short stacking energy: -401.302
Base-Backbone interact. energy: -0.947
local terms energy: -434.149426
where:
bonds (distance) C4'-P energy: -66.478
bonds (distance) P-C4' energy: -80.249
flat angles C4'-P-C4' energy: -93.287
flat angles P-C4'-P energy: -62.114
tors. eta vs tors. theta energy: -132.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1361.794392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.794392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.794392 (E_RNA)
where:
Base-Base interactions energy: -954.196
where: short stacking energy: -415.145
Base-Backbone interact. energy: -1.555
local terms energy: -406.043342
where:
bonds (distance) C4'-P energy: -73.921
bonds (distance) P-C4' energy: -69.211
flat angles C4'-P-C4' energy: -86.065
flat angles P-C4'-P energy: -52.420
tors. eta vs tors. theta energy: -124.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1293.657123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.657123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.657123 (E_RNA)
where:
Base-Base interactions energy: -889.542
where: short stacking energy: -368.259
Base-Backbone interact. energy: 1.062
local terms energy: -405.176453
where:
bonds (distance) C4'-P energy: -75.413
bonds (distance) P-C4' energy: -82.669
flat angles C4'-P-C4' energy: -88.623
flat angles P-C4'-P energy: -53.776
tors. eta vs tors. theta energy: -104.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1223.974002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.974002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.974002 (E_RNA)
where:
Base-Base interactions energy: -835.390
where: short stacking energy: -368.887
Base-Backbone interact. energy: 0.217
local terms energy: -388.801147
where:
bonds (distance) C4'-P energy: -67.727
bonds (distance) P-C4' energy: -77.715
flat angles C4'-P-C4' energy: -79.773
flat angles P-C4'-P energy: -53.337
tors. eta vs tors. theta energy: -110.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1190.746232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.746232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.746232 (E_RNA)
where:
Base-Base interactions energy: -806.529
where: short stacking energy: -341.543
Base-Backbone interact. energy: -1.360
local terms energy: -382.858091
where:
bonds (distance) C4'-P energy: -69.567
bonds (distance) P-C4' energy: -76.913
flat angles C4'-P-C4' energy: -73.212
flat angles P-C4'-P energy: -54.621
tors. eta vs tors. theta energy: -108.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1085.485756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.485756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.485756 (E_RNA)
where:
Base-Base interactions energy: -728.199
where: short stacking energy: -298.219
Base-Backbone interact. energy: 0.484
local terms energy: -357.771436
where:
bonds (distance) C4'-P energy: -69.020
bonds (distance) P-C4' energy: -69.776
flat angles C4'-P-C4' energy: -85.188
flat angles P-C4'-P energy: -49.266
tors. eta vs tors. theta energy: -84.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -833.380440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.380440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.380440 (E_RNA)
where:
Base-Base interactions energy: -529.650
where: short stacking energy: -230.571
Base-Backbone interact. energy: 2.383
local terms energy: -306.112656
where:
bonds (distance) C4'-P energy: -67.440
bonds (distance) P-C4' energy: -74.149
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -42.923
tors. eta vs tors. theta energy: -62.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -606.107356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.107356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.107356 (E_RNA)
where:
Base-Base interactions energy: -346.069
where: short stacking energy: -177.378
Base-Backbone interact. energy: 2.279
local terms energy: -262.316906
where:
bonds (distance) C4'-P energy: -53.645
bonds (distance) P-C4' energy: -71.173
flat angles C4'-P-C4' energy: -56.323
flat angles P-C4'-P energy: -47.608
tors. eta vs tors. theta energy: -33.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -446.276888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.276888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.276888 (E_RNA)
where:
Base-Base interactions energy: -218.271
where: short stacking energy: -135.441
Base-Backbone interact. energy: 4.573
local terms energy: -232.579288
where:
bonds (distance) C4'-P energy: -64.059
bonds (distance) P-C4' energy: -65.967
flat angles C4'-P-C4' energy: -63.964
flat angles P-C4'-P energy: -32.716
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -320.345418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.345418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.345418 (E_RNA)
where:
Base-Base interactions energy: -95.488
where: short stacking energy: -80.460
Base-Backbone interact. energy: -2.333
local terms energy: -222.523858
where:
bonds (distance) C4'-P energy: -62.809
bonds (distance) P-C4' energy: -80.085
flat angles C4'-P-C4' energy: -51.781
flat angles P-C4'-P energy: -43.014
tors. eta vs tors. theta energy: 15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1399.679444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.679444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.679444 (E_RNA)
where:
Base-Base interactions energy: -947.776
where: short stacking energy: -392.833
Base-Backbone interact. energy: -1.526
local terms energy: -450.377522
where:
bonds (distance) C4'-P energy: -71.877
bonds (distance) P-C4' energy: -86.188
flat angles C4'-P-C4' energy: -94.691
flat angles P-C4'-P energy: -66.606
tors. eta vs tors. theta energy: -131.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1369.176546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.176546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.176546 (E_RNA)
where:
Base-Base interactions energy: -934.000
where: short stacking energy: -395.106
Base-Backbone interact. energy: 2.307
local terms energy: -437.483051
where:
bonds (distance) C4'-P energy: -83.194
bonds (distance) P-C4' energy: -77.320
flat angles C4'-P-C4' energy: -92.158
flat angles P-C4'-P energy: -57.468
tors. eta vs tors. theta energy: -127.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1276.804887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.804887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.804887 (E_RNA)
where:
Base-Base interactions energy: -891.367
where: short stacking energy: -371.164
Base-Backbone interact. energy: -1.798
local terms energy: -383.640685
where:
bonds (distance) C4'-P energy: -75.108
bonds (distance) P-C4' energy: -79.785
flat angles C4'-P-C4' energy: -77.728
flat angles P-C4'-P energy: -42.429
tors. eta vs tors. theta energy: -108.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1224.011252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.011252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.011252 (E_RNA)
where:
Base-Base interactions energy: -824.976
where: short stacking energy: -345.967
Base-Backbone interact. energy: -0.981
local terms energy: -398.053820
where:
bonds (distance) C4'-P energy: -73.780
bonds (distance) P-C4' energy: -77.770
flat angles C4'-P-C4' energy: -81.470
flat angles P-C4'-P energy: -56.576
tors. eta vs tors. theta energy: -108.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1139.583947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.583947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.583947 (E_RNA)
where:
Base-Base interactions energy: -776.311
where: short stacking energy: -324.773
Base-Backbone interact. energy: -1.692
local terms energy: -361.581485
where:
bonds (distance) C4'-P energy: -72.594
bonds (distance) P-C4' energy: -85.382
flat angles C4'-P-C4' energy: -69.047
flat angles P-C4'-P energy: -44.419
tors. eta vs tors. theta energy: -90.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1035.356306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.356306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.356306 (E_RNA)
where:
Base-Base interactions energy: -699.016
where: short stacking energy: -300.838
Base-Backbone interact. energy: -2.481
local terms energy: -333.860213
where:
bonds (distance) C4'-P energy: -69.904
bonds (distance) P-C4' energy: -65.072
flat angles C4'-P-C4' energy: -68.861
flat angles P-C4'-P energy: -50.700
tors. eta vs tors. theta energy: -79.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -806.272406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.272406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.272406 (E_RNA)
where:
Base-Base interactions energy: -511.620
where: short stacking energy: -245.499
Base-Backbone interact. energy: 1.986
local terms energy: -296.638645
where:
bonds (distance) C4'-P energy: -67.170
bonds (distance) P-C4' energy: -72.992
flat angles C4'-P-C4' energy: -55.053
flat angles P-C4'-P energy: -35.791
tors. eta vs tors. theta energy: -65.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -491.866075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.866075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.866075 (E_RNA)
where:
Base-Base interactions energy: -250.157
where: short stacking energy: -142.731
Base-Backbone interact. energy: -0.346
local terms energy: -241.362998
where:
bonds (distance) C4'-P energy: -72.566
bonds (distance) P-C4' energy: -67.168
flat angles C4'-P-C4' energy: -68.310
flat angles P-C4'-P energy: -33.285
tors. eta vs tors. theta energy: -0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -528.246485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.246485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.246485 (E_RNA)
where:
Base-Base interactions energy: -277.626
where: short stacking energy: -149.191
Base-Backbone interact. energy: -0.464
local terms energy: -250.155632
where:
bonds (distance) C4'-P energy: -68.603
bonds (distance) P-C4' energy: -77.730
flat angles C4'-P-C4' energy: -55.359
flat angles P-C4'-P energy: -34.974
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -316.069693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.069693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.069693 (E_RNA)
where:
Base-Base interactions energy: -110.658
where: short stacking energy: -96.431
Base-Backbone interact. energy: 1.068
local terms energy: -206.480448
where:
bonds (distance) C4'-P energy: -55.889
bonds (distance) P-C4' energy: -80.926
flat angles C4'-P-C4' energy: -49.168
flat angles P-C4'-P energy: -32.175
tors. eta vs tors. theta energy: 11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1406.548916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.548916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.548916 (E_RNA)
where:
Base-Base interactions energy: -978.659
where: short stacking energy: -418.402
Base-Backbone interact. energy: 0.289
local terms energy: -428.178718
where:
bonds (distance) C4'-P energy: -89.015
bonds (distance) P-C4' energy: -70.199
flat angles C4'-P-C4' energy: -87.259
flat angles P-C4'-P energy: -59.257
tors. eta vs tors. theta energy: -122.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1330.035486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.035486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.035486 (E_RNA)
where:
Base-Base interactions energy: -936.943
where: short stacking energy: -394.947
Base-Backbone interact. energy: 0.769
local terms energy: -393.861453
where:
bonds (distance) C4'-P energy: -66.584
bonds (distance) P-C4' energy: -70.981
flat angles C4'-P-C4' energy: -80.428
flat angles P-C4'-P energy: -53.458
tors. eta vs tors. theta energy: -122.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1290.965228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.965228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.965228 (E_RNA)
where:
Base-Base interactions energy: -898.422
where: short stacking energy: -384.550
Base-Backbone interact. energy: -0.712
local terms energy: -391.831783
where:
bonds (distance) C4'-P energy: -76.206
bonds (distance) P-C4' energy: -70.620
flat angles C4'-P-C4' energy: -81.923
flat angles P-C4'-P energy: -59.181
tors. eta vs tors. theta energy: -103.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1268.437502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.437502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.437502 (E_RNA)
where:
Base-Base interactions energy: -874.473
where: short stacking energy: -366.984
Base-Backbone interact. energy: -1.332
local terms energy: -392.632637
where:
bonds (distance) C4'-P energy: -66.606
bonds (distance) P-C4' energy: -82.029
flat angles C4'-P-C4' energy: -82.715
flat angles P-C4'-P energy: -52.216
tors. eta vs tors. theta energy: -109.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1155.761165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.761165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.761165 (E_RNA)
where:
Base-Base interactions energy: -784.403
where: short stacking energy: -358.287
Base-Backbone interact. energy: -0.978
local terms energy: -370.380716
where:
bonds (distance) C4'-P energy: -63.475
bonds (distance) P-C4' energy: -70.415
flat angles C4'-P-C4' energy: -78.919
flat angles P-C4'-P energy: -57.202
tors. eta vs tors. theta energy: -100.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1063.840098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.840098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.840098 (E_RNA)
where:
Base-Base interactions energy: -737.798
where: short stacking energy: -304.032
Base-Backbone interact. energy: -2.536
local terms energy: -323.506045
where:
bonds (distance) C4'-P energy: -70.633
bonds (distance) P-C4' energy: -60.182
flat angles C4'-P-C4' energy: -69.627
flat angles P-C4'-P energy: -46.492
tors. eta vs tors. theta energy: -76.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -830.309326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.309326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.309326 (E_RNA)
where:
Base-Base interactions energy: -509.458
where: short stacking energy: -222.015
Base-Backbone interact. energy: 0.371
local terms energy: -321.222046
where:
bonds (distance) C4'-P energy: -73.694
bonds (distance) P-C4' energy: -81.470
flat angles C4'-P-C4' energy: -74.272
flat angles P-C4'-P energy: -33.701
tors. eta vs tors. theta energy: -58.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -532.164465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.164465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.164465 (E_RNA)
where:
Base-Base interactions energy: -265.658
where: short stacking energy: -165.569
Base-Backbone interact. energy: -2.012
local terms energy: -264.494405
where:
bonds (distance) C4'-P energy: -63.787
bonds (distance) P-C4' energy: -65.945
flat angles C4'-P-C4' energy: -65.845
flat angles P-C4'-P energy: -44.460
tors. eta vs tors. theta energy: -24.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -428.660583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.660583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.660583 (E_RNA)
where:
Base-Base interactions energy: -208.585
where: short stacking energy: -123.553
Base-Backbone interact. energy: 0.185
local terms energy: -220.261311
where:
bonds (distance) C4'-P energy: -57.916
bonds (distance) P-C4' energy: -54.522
flat angles C4'-P-C4' energy: -55.967
flat angles P-C4'-P energy: -50.255
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -310.851339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.851339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.851339 (E_RNA)
where:
Base-Base interactions energy: -104.491
where: short stacking energy: -99.176
Base-Backbone interact. energy: -2.541
local terms energy: -203.819251
where:
bonds (distance) C4'-P energy: -66.607
bonds (distance) P-C4' energy: -58.236
flat angles C4'-P-C4' energy: -52.801
flat angles P-C4'-P energy: -44.614
tors. eta vs tors. theta energy: 18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1404.622066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.622066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.622066 (E_RNA)
where:
Base-Base interactions energy: -954.888
where: short stacking energy: -402.454
Base-Backbone interact. energy: -0.083
local terms energy: -449.650421
where:
bonds (distance) C4'-P energy: -82.422
bonds (distance) P-C4' energy: -81.646
flat angles C4'-P-C4' energy: -92.315
flat angles P-C4'-P energy: -64.474
tors. eta vs tors. theta energy: -128.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1332.911161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.911161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.911161 (E_RNA)
where:
Base-Base interactions energy: -897.922
where: short stacking energy: -371.408
Base-Backbone interact. energy: -2.794
local terms energy: -432.195208
where:
bonds (distance) C4'-P energy: -76.646
bonds (distance) P-C4' energy: -78.835
flat angles C4'-P-C4' energy: -96.454
flat angles P-C4'-P energy: -57.393
tors. eta vs tors. theta energy: -122.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1299.443975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.443975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.443975 (E_RNA)
where:
Base-Base interactions energy: -897.450
where: short stacking energy: -364.852
Base-Backbone interact. energy: 0.616
local terms energy: -402.609847
where:
bonds (distance) C4'-P energy: -74.966
bonds (distance) P-C4' energy: -72.417
flat angles C4'-P-C4' energy: -88.080
flat angles P-C4'-P energy: -53.464
tors. eta vs tors. theta energy: -113.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1268.046822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.046822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.046822 (E_RNA)
where:
Base-Base interactions energy: -886.515
where: short stacking energy: -360.311
Base-Backbone interact. energy: -0.269
local terms energy: -381.262298
where:
bonds (distance) C4'-P energy: -62.898
bonds (distance) P-C4' energy: -86.422
flat angles C4'-P-C4' energy: -82.631
flat angles P-C4'-P energy: -43.246
tors. eta vs tors. theta energy: -106.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1118.436924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.436924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.436924 (E_RNA)
where:
Base-Base interactions energy: -763.673
where: short stacking energy: -323.668
Base-Backbone interact. energy: 0.168
local terms energy: -354.931931
where:
bonds (distance) C4'-P energy: -77.913
bonds (distance) P-C4' energy: -68.014
flat angles C4'-P-C4' energy: -68.305
flat angles P-C4'-P energy: -49.423
tors. eta vs tors. theta energy: -91.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1030.623065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.623065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.623065 (E_RNA)
where:
Base-Base interactions energy: -675.637
where: short stacking energy: -284.819
Base-Backbone interact. energy: -2.997
local terms energy: -351.989468
where:
bonds (distance) C4'-P energy: -84.451
bonds (distance) P-C4' energy: -58.363
flat angles C4'-P-C4' energy: -77.704
flat angles P-C4'-P energy: -56.892
tors. eta vs tors. theta energy: -74.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -842.747712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.747712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.747712 (E_RNA)
where:
Base-Base interactions energy: -512.339
where: short stacking energy: -228.333
Base-Backbone interact. energy: 1.741
local terms energy: -332.149896
where:
bonds (distance) C4'-P energy: -67.516
bonds (distance) P-C4' energy: -74.875
flat angles C4'-P-C4' energy: -64.951
flat angles P-C4'-P energy: -53.999
tors. eta vs tors. theta energy: -70.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -490.577648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.577648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.577648 (E_RNA)
where:
Base-Base interactions energy: -254.943
where: short stacking energy: -124.269
Base-Backbone interact. energy: -0.219
local terms energy: -235.415677
where:
bonds (distance) C4'-P energy: -56.641
bonds (distance) P-C4' energy: -63.074
flat angles C4'-P-C4' energy: -70.332
flat angles P-C4'-P energy: -35.191
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -382.607616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.607616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.607616 (E_RNA)
where:
Base-Base interactions energy: -154.150
where: short stacking energy: -92.111
Base-Backbone interact. energy: -1.823
local terms energy: -226.634802
where:
bonds (distance) C4'-P energy: -68.382
bonds (distance) P-C4' energy: -63.447
flat angles C4'-P-C4' energy: -61.385
flat angles P-C4'-P energy: -44.610
tors. eta vs tors. theta energy: 11.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -315.886443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.886443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.886443 (E_RNA)
where:
Base-Base interactions energy: -109.752
where: short stacking energy: -102.310
Base-Backbone interact. energy: 6.741
local terms energy: -212.876008
where:
bonds (distance) C4'-P energy: -71.692
bonds (distance) P-C4' energy: -70.669
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -30.813
tors. eta vs tors. theta energy: 13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1414.464418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.464418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.464418 (E_RNA)
where:
Base-Base interactions energy: -974.863
where: short stacking energy: -424.242
Base-Backbone interact. energy: 0.879
local terms energy: -440.479460
where:
bonds (distance) C4'-P energy: -73.975
bonds (distance) P-C4' energy: -85.972
flat angles C4'-P-C4' energy: -92.286
flat angles P-C4'-P energy: -65.464
tors. eta vs tors. theta energy: -122.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1329.350299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.350299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.350299 (E_RNA)
where:
Base-Base interactions energy: -900.903
where: short stacking energy: -382.613
Base-Backbone interact. energy: -2.355
local terms energy: -426.092293
where:
bonds (distance) C4'-P energy: -80.201
bonds (distance) P-C4' energy: -87.982
flat angles C4'-P-C4' energy: -85.568
flat angles P-C4'-P energy: -60.034
tors. eta vs tors. theta energy: -112.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1305.069817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.069817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.069817 (E_RNA)
where:
Base-Base interactions energy: -897.604
where: short stacking energy: -363.441
Base-Backbone interact. energy: -1.857
local terms energy: -405.608475
where:
bonds (distance) C4'-P energy: -78.496
bonds (distance) P-C4' energy: -69.067
flat angles C4'-P-C4' energy: -85.624
flat angles P-C4'-P energy: -51.869
tors. eta vs tors. theta energy: -120.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1268.463360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.463360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.463360 (E_RNA)
where:
Base-Base interactions energy: -890.764
where: short stacking energy: -361.379
Base-Backbone interact. energy: 2.947
local terms energy: -380.646679
where:
bonds (distance) C4'-P energy: -59.634
bonds (distance) P-C4' energy: -76.755
flat angles C4'-P-C4' energy: -84.041
flat angles P-C4'-P energy: -53.179
tors. eta vs tors. theta energy: -107.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1118.026078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.026078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.026078 (E_RNA)
where:
Base-Base interactions energy: -762.864
where: short stacking energy: -319.846
Base-Backbone interact. energy: -1.048
local terms energy: -354.114742
where:
bonds (distance) C4'-P energy: -59.373
bonds (distance) P-C4' energy: -71.771
flat angles C4'-P-C4' energy: -85.778
flat angles P-C4'-P energy: -47.452
tors. eta vs tors. theta energy: -89.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1010.416916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.416916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.416916 (E_RNA)
where:
Base-Base interactions energy: -658.833
where: short stacking energy: -304.704
Base-Backbone interact. energy: 0.263
local terms energy: -351.847012
where:
bonds (distance) C4'-P energy: -57.593
bonds (distance) P-C4' energy: -80.842
flat angles C4'-P-C4' energy: -76.599
flat angles P-C4'-P energy: -55.999
tors. eta vs tors. theta energy: -80.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -820.863623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.863623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.863623 (E_RNA)
where:
Base-Base interactions energy: -497.695
where: short stacking energy: -252.729
Base-Backbone interact. energy: 0.436
local terms energy: -323.604377
where:
bonds (distance) C4'-P energy: -57.559
bonds (distance) P-C4' energy: -71.709
flat angles C4'-P-C4' energy: -64.030
flat angles P-C4'-P energy: -57.124
tors. eta vs tors. theta energy: -73.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -477.257825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.257825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.257825 (E_RNA)
where:
Base-Base interactions energy: -220.767
where: short stacking energy: -145.129
Base-Backbone interact. energy: -0.487
local terms energy: -256.003939
where:
bonds (distance) C4'-P energy: -65.812
bonds (distance) P-C4' energy: -72.810
flat angles C4'-P-C4' energy: -50.554
flat angles P-C4'-P energy: -50.307
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -381.095669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.095669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.095669 (E_RNA)
where:
Base-Base interactions energy: -193.980
where: short stacking energy: -105.970
Base-Backbone interact. energy: 3.141
local terms energy: -190.256262
where:
bonds (distance) C4'-P energy: -54.797
bonds (distance) P-C4' energy: -58.961
flat angles C4'-P-C4' energy: -49.712
flat angles P-C4'-P energy: -29.118
tors. eta vs tors. theta energy: 2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -322.789506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.789506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.789506 (E_RNA)
where:
Base-Base interactions energy: -136.117
where: short stacking energy: -93.347
Base-Backbone interact. energy: 0.053
local terms energy: -186.725642
where:
bonds (distance) C4'-P energy: -69.736
bonds (distance) P-C4' energy: -78.937
flat angles C4'-P-C4' energy: -32.375
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: 2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1417.868307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.868307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.868307 (E_RNA)
where:
Base-Base interactions energy: -976.934
where: short stacking energy: -394.629
Base-Backbone interact. energy: 0.448
local terms energy: -441.382659
where:
bonds (distance) C4'-P energy: -82.168
bonds (distance) P-C4' energy: -81.339
flat angles C4'-P-C4' energy: -92.977
flat angles P-C4'-P energy: -56.833
tors. eta vs tors. theta energy: -128.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1310.300166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.300166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.300166 (E_RNA)
where:
Base-Base interactions energy: -892.827
where: short stacking energy: -373.412
Base-Backbone interact. energy: -2.258
local terms energy: -415.214700
where:
bonds (distance) C4'-P energy: -73.762
bonds (distance) P-C4' energy: -75.432
flat angles C4'-P-C4' energy: -89.038
flat angles P-C4'-P energy: -54.196
tors. eta vs tors. theta energy: -122.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1318.910708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.910708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.910708 (E_RNA)
where:
Base-Base interactions energy: -888.482
where: short stacking energy: -372.546
Base-Backbone interact. energy: 0.569
local terms energy: -430.998161
where:
bonds (distance) C4'-P energy: -81.685
bonds (distance) P-C4' energy: -83.482
flat angles C4'-P-C4' energy: -95.899
flat angles P-C4'-P energy: -50.535
tors. eta vs tors. theta energy: -119.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1253.735018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.735018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.735018 (E_RNA)
where:
Base-Base interactions energy: -866.287
where: short stacking energy: -366.983
Base-Backbone interact. energy: -1.189
local terms energy: -386.258888
where:
bonds (distance) C4'-P energy: -72.142
bonds (distance) P-C4' energy: -72.012
flat angles C4'-P-C4' energy: -87.580
flat angles P-C4'-P energy: -48.490
tors. eta vs tors. theta energy: -106.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1165.579237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.579237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.579237 (E_RNA)
where:
Base-Base interactions energy: -786.647
where: short stacking energy: -345.940
Base-Backbone interact. energy: -1.235
local terms energy: -377.696404
where:
bonds (distance) C4'-P energy: -79.695
bonds (distance) P-C4' energy: -72.496
flat angles C4'-P-C4' energy: -74.390
flat angles P-C4'-P energy: -50.729
tors. eta vs tors. theta energy: -100.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1001.520389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.520389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.520389 (E_RNA)
where:
Base-Base interactions energy: -661.496
where: short stacking energy: -270.107
Base-Backbone interact. energy: -0.112
local terms energy: -339.912318
where:
bonds (distance) C4'-P energy: -72.511
bonds (distance) P-C4' energy: -78.039
flat angles C4'-P-C4' energy: -82.053
flat angles P-C4'-P energy: -47.382
tors. eta vs tors. theta energy: -59.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -765.084881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.084881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.084881 (E_RNA)
where:
Base-Base interactions energy: -474.019
where: short stacking energy: -231.574
Base-Backbone interact. energy: -5.396
local terms energy: -285.670030
where:
bonds (distance) C4'-P energy: -63.193
bonds (distance) P-C4' energy: -70.149
flat angles C4'-P-C4' energy: -66.840
flat angles P-C4'-P energy: -40.185
tors. eta vs tors. theta energy: -45.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -509.495713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.495713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.495713 (E_RNA)
where:
Base-Base interactions energy: -259.849
where: short stacking energy: -153.321
Base-Backbone interact. energy: -0.529
local terms energy: -249.118234
where:
bonds (distance) C4'-P energy: -59.703
bonds (distance) P-C4' energy: -70.491
flat angles C4'-P-C4' energy: -61.557
flat angles P-C4'-P energy: -41.584
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -373.306615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.306615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.306615 (E_RNA)
where:
Base-Base interactions energy: -139.649
where: short stacking energy: -84.628
Base-Backbone interact. energy: 4.498
local terms energy: -238.155906
where:
bonds (distance) C4'-P energy: -82.384
bonds (distance) P-C4' energy: -63.264
flat angles C4'-P-C4' energy: -63.762
flat angles P-C4'-P energy: -38.328
tors. eta vs tors. theta energy: 9.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -322.173594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.173594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.173594 (E_RNA)
where:
Base-Base interactions energy: -121.418
where: short stacking energy: -99.540
Base-Backbone interact. energy: -1.857
local terms energy: -198.898710
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -69.879
flat angles C4'-P-C4' energy: -47.374
flat angles P-C4'-P energy: -37.058
tors. eta vs tors. theta energy: 7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1394.511791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.511791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.511791 (E_RNA)
where:
Base-Base interactions energy: -944.974
where: short stacking energy: -407.600
Base-Backbone interact. energy: 0.019
local terms energy: -449.556912
where:
bonds (distance) C4'-P energy: -84.094
bonds (distance) P-C4' energy: -84.877
flat angles C4'-P-C4' energy: -90.463
flat angles P-C4'-P energy: -64.316
tors. eta vs tors. theta energy: -125.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1334.271274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.271274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.271274 (E_RNA)
where:
Base-Base interactions energy: -911.906
where: short stacking energy: -376.821
Base-Backbone interact. energy: -2.705
local terms energy: -419.660506
where:
bonds (distance) C4'-P energy: -81.675
bonds (distance) P-C4' energy: -70.935
flat angles C4'-P-C4' energy: -84.302
flat angles P-C4'-P energy: -60.392
tors. eta vs tors. theta energy: -122.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1287.024193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.024193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.024193 (E_RNA)
where:
Base-Base interactions energy: -897.712
where: short stacking energy: -351.261
Base-Backbone interact. energy: -3.344
local terms energy: -385.968213
where:
bonds (distance) C4'-P energy: -69.560
bonds (distance) P-C4' energy: -81.406
flat angles C4'-P-C4' energy: -76.441
flat angles P-C4'-P energy: -55.212
tors. eta vs tors. theta energy: -103.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1255.322454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.322454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.322454 (E_RNA)
where:
Base-Base interactions energy: -872.739
where: short stacking energy: -359.597
Base-Backbone interact. energy: 0.500
local terms energy: -383.082711
where:
bonds (distance) C4'-P energy: -73.293
bonds (distance) P-C4' energy: -62.445
flat angles C4'-P-C4' energy: -78.195
flat angles P-C4'-P energy: -57.384
tors. eta vs tors. theta energy: -111.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1126.297350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.297350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.297350 (E_RNA)
where:
Base-Base interactions energy: -758.615
where: short stacking energy: -308.574
Base-Backbone interact. energy: 2.330
local terms energy: -370.012641
where:
bonds (distance) C4'-P energy: -65.018
bonds (distance) P-C4' energy: -79.476
flat angles C4'-P-C4' energy: -81.051
flat angles P-C4'-P energy: -54.667
tors. eta vs tors. theta energy: -89.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1014.673414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.673414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.673414 (E_RNA)
where:
Base-Base interactions energy: -682.148
where: short stacking energy: -274.667
Base-Backbone interact. energy: -3.036
local terms energy: -329.490110
where:
bonds (distance) C4'-P energy: -74.090
bonds (distance) P-C4' energy: -56.749
flat angles C4'-P-C4' energy: -87.098
flat angles P-C4'-P energy: -44.293
tors. eta vs tors. theta energy: -67.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -734.581012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.581012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.581012 (E_RNA)
where:
Base-Base interactions energy: -426.280
where: short stacking energy: -195.674
Base-Backbone interact. energy: 1.671
local terms energy: -309.972277
where:
bonds (distance) C4'-P energy: -65.859
bonds (distance) P-C4' energy: -75.381
flat angles C4'-P-C4' energy: -76.380
flat angles P-C4'-P energy: -51.214
tors. eta vs tors. theta energy: -41.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -536.634289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.634289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.634289 (E_RNA)
where:
Base-Base interactions energy: -253.495
where: short stacking energy: -151.134
Base-Backbone interact. energy: -3.384
local terms energy: -279.755492
where:
bonds (distance) C4'-P energy: -75.164
bonds (distance) P-C4' energy: -74.665
flat angles C4'-P-C4' energy: -72.776
flat angles P-C4'-P energy: -43.159
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -328.971625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.971625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.971625 (E_RNA)
where:
Base-Base interactions energy: -114.379
where: short stacking energy: -91.649
Base-Backbone interact. energy: 3.051
local terms energy: -217.643488
where:
bonds (distance) C4'-P energy: -66.833
bonds (distance) P-C4' energy: -72.121
flat angles C4'-P-C4' energy: -61.325
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: 13.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -318.051595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.051595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.051595 (E_RNA)
where:
Base-Base interactions energy: -123.199
where: short stacking energy: -114.305
Base-Backbone interact. energy: 0.885
local terms energy: -195.737644
where:
bonds (distance) C4'-P energy: -43.989
bonds (distance) P-C4' energy: -73.524
flat angles C4'-P-C4' energy: -62.947
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: 7.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1410.573558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.573558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.573558 (E_RNA)
where:
Base-Base interactions energy: -969.023
where: short stacking energy: -411.361
Base-Backbone interact. energy: -1.384
local terms energy: -440.166872
where:
bonds (distance) C4'-P energy: -74.523
bonds (distance) P-C4' energy: -84.360
flat angles C4'-P-C4' energy: -87.564
flat angles P-C4'-P energy: -69.329
tors. eta vs tors. theta energy: -124.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1330.819845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.819845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.819845 (E_RNA)
where:
Base-Base interactions energy: -922.053
where: short stacking energy: -379.125
Base-Backbone interact. energy: -2.964
local terms energy: -405.802294
where:
bonds (distance) C4'-P energy: -63.531
bonds (distance) P-C4' energy: -74.539
flat angles C4'-P-C4' energy: -91.195
flat angles P-C4'-P energy: -55.173
tors. eta vs tors. theta energy: -121.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1301.620799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.620799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.620799 (E_RNA)
where:
Base-Base interactions energy: -893.403
where: short stacking energy: -372.681
Base-Backbone interact. energy: 4.782
local terms energy: -413.000192
where:
bonds (distance) C4'-P energy: -74.969
bonds (distance) P-C4' energy: -85.691
flat angles C4'-P-C4' energy: -86.143
flat angles P-C4'-P energy: -51.599
tors. eta vs tors. theta energy: -114.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1269.936441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.936441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.936441 (E_RNA)
where:
Base-Base interactions energy: -879.243
where: short stacking energy: -368.398
Base-Backbone interact. energy: -0.307
local terms energy: -390.387047
where:
bonds (distance) C4'-P energy: -78.202
bonds (distance) P-C4' energy: -69.918
flat angles C4'-P-C4' energy: -78.744
flat angles P-C4'-P energy: -48.020
tors. eta vs tors. theta energy: -115.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1149.258362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.258362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.258362 (E_RNA)
where:
Base-Base interactions energy: -801.948
where: short stacking energy: -352.558
Base-Backbone interact. energy: 2.387
local terms energy: -349.697292
where:
bonds (distance) C4'-P energy: -75.455
bonds (distance) P-C4' energy: -51.141
flat angles C4'-P-C4' energy: -62.212
flat angles P-C4'-P energy: -48.582
tors. eta vs tors. theta energy: -112.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1054.505606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.505606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.505606 (E_RNA)
where:
Base-Base interactions energy: -702.168
where: short stacking energy: -290.614
Base-Backbone interact. energy: -0.881
local terms energy: -351.456426
where:
bonds (distance) C4'-P energy: -70.584
bonds (distance) P-C4' energy: -78.245
flat angles C4'-P-C4' energy: -74.203
flat angles P-C4'-P energy: -53.471
tors. eta vs tors. theta energy: -74.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -737.993862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.993862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.993862 (E_RNA)
where:
Base-Base interactions energy: -431.218
where: short stacking energy: -198.467
Base-Backbone interact. energy: 0.207
local terms energy: -306.982634
where:
bonds (distance) C4'-P energy: -65.947
bonds (distance) P-C4' energy: -72.818
flat angles C4'-P-C4' energy: -74.670
flat angles P-C4'-P energy: -50.773
tors. eta vs tors. theta energy: -42.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -385.357653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.357653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.357653 (E_RNA)
where:
Base-Base interactions energy: -134.312
where: short stacking energy: -95.640
Base-Backbone interact. energy: -2.184
local terms energy: -248.861771
where:
bonds (distance) C4'-P energy: -78.385
bonds (distance) P-C4' energy: -80.894
flat angles C4'-P-C4' energy: -63.901
flat angles P-C4'-P energy: -32.066
tors. eta vs tors. theta energy: 6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -458.322474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.322474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.322474 (E_RNA)
where:
Base-Base interactions energy: -207.183
where: short stacking energy: -132.127
Base-Backbone interact. energy: -0.396
local terms energy: -250.743591
where:
bonds (distance) C4'-P energy: -62.314
bonds (distance) P-C4' energy: -72.272
flat angles C4'-P-C4' energy: -66.921
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -296.441596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.441596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.441596 (E_RNA)
where:
Base-Base interactions energy: -103.898
where: short stacking energy: -84.493
Base-Backbone interact. energy: 0.969
local terms energy: -193.512412
where:
bonds (distance) C4'-P energy: -73.816
bonds (distance) P-C4' energy: -65.525
flat angles C4'-P-C4' energy: -50.986
flat angles P-C4'-P energy: -29.089
tors. eta vs tors. theta energy: 25.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1423.007257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.007257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.007257 (E_RNA)
where:
Base-Base interactions energy: -974.386
where: short stacking energy: -414.718
Base-Backbone interact. energy: -0.747
local terms energy: -447.874460
where:
bonds (distance) C4'-P energy: -76.935
bonds (distance) P-C4' energy: -79.862
flat angles C4'-P-C4' energy: -95.860
flat angles P-C4'-P energy: -67.356
tors. eta vs tors. theta energy: -127.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1352.103411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.103411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.103411 (E_RNA)
where:
Base-Base interactions energy: -913.272
where: short stacking energy: -374.983
Base-Backbone interact. energy: -1.697
local terms energy: -437.133777
where:
bonds (distance) C4'-P energy: -85.952
bonds (distance) P-C4' energy: -78.999
flat angles C4'-P-C4' energy: -93.248
flat angles P-C4'-P energy: -61.485
tors. eta vs tors. theta energy: -117.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1290.348546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.348546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.348546 (E_RNA)
where:
Base-Base interactions energy: -906.717
where: short stacking energy: -358.142
Base-Backbone interact. energy: 3.546
local terms energy: -387.178216
where:
bonds (distance) C4'-P energy: -78.624
bonds (distance) P-C4' energy: -78.191
flat angles C4'-P-C4' energy: -77.808
flat angles P-C4'-P energy: -51.692
tors. eta vs tors. theta energy: -100.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1268.888834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.888834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.888834 (E_RNA)
where:
Base-Base interactions energy: -870.663
where: short stacking energy: -357.764
Base-Backbone interact. energy: -2.768
local terms energy: -395.457706
where:
bonds (distance) C4'-P energy: -68.376
bonds (distance) P-C4' energy: -71.484
flat angles C4'-P-C4' energy: -81.886
flat angles P-C4'-P energy: -59.572
tors. eta vs tors. theta energy: -114.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1164.472368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.472368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.472368 (E_RNA)
where:
Base-Base interactions energy: -772.252
where: short stacking energy: -325.643
Base-Backbone interact. energy: -1.610
local terms energy: -390.609992
where:
bonds (distance) C4'-P energy: -74.312
bonds (distance) P-C4' energy: -81.734
flat angles C4'-P-C4' energy: -76.581
flat angles P-C4'-P energy: -61.675
tors. eta vs tors. theta energy: -96.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1065.507165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.507165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.507165 (E_RNA)
where:
Base-Base interactions energy: -731.748
where: short stacking energy: -304.368
Base-Backbone interact. energy: -2.195
local terms energy: -331.563860
where:
bonds (distance) C4'-P energy: -66.103
bonds (distance) P-C4' energy: -63.327
flat angles C4'-P-C4' energy: -73.630
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: -78.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -759.528809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.528809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.528809 (E_RNA)
where:
Base-Base interactions energy: -460.626
where: short stacking energy: -230.612
Base-Backbone interact. energy: 1.185
local terms energy: -300.087488
where:
bonds (distance) C4'-P energy: -54.445
bonds (distance) P-C4' energy: -66.659
flat angles C4'-P-C4' energy: -73.288
flat angles P-C4'-P energy: -54.872
tors. eta vs tors. theta energy: -50.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -382.639427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.639427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.639427 (E_RNA)
where:
Base-Base interactions energy: -133.247
where: short stacking energy: -115.504
Base-Backbone interact. energy: 4.498
local terms energy: -253.891224
where:
bonds (distance) C4'-P energy: -59.263
bonds (distance) P-C4' energy: -81.553
flat angles C4'-P-C4' energy: -64.910
flat angles P-C4'-P energy: -41.715
tors. eta vs tors. theta energy: -6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -396.223549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.223549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.223549 (E_RNA)
where:
Base-Base interactions energy: -151.624
where: short stacking energy: -82.650
Base-Backbone interact. energy: 2.684
local terms energy: -247.283824
where:
bonds (distance) C4'-P energy: -74.927
bonds (distance) P-C4' energy: -66.517
flat angles C4'-P-C4' energy: -56.600
flat angles P-C4'-P energy: -47.052
tors. eta vs tors. theta energy: -2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -346.487940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.487940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.487940 (E_RNA)
where:
Base-Base interactions energy: -129.238
where: short stacking energy: -94.268
Base-Backbone interact. energy: -0.313
local terms energy: -216.936468
where:
bonds (distance) C4'-P energy: -56.608
bonds (distance) P-C4' energy: -69.004
flat angles C4'-P-C4' energy: -63.244
flat angles P-C4'-P energy: -41.981
tors. eta vs tors. theta energy: 13.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1426.528880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.528880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.528880 (E_RNA)
where:
Base-Base interactions energy: -972.184
where: short stacking energy: -401.495
Base-Backbone interact. energy: -1.326
local terms energy: -453.019440
where:
bonds (distance) C4'-P energy: -83.598
bonds (distance) P-C4' energy: -86.867
flat angles C4'-P-C4' energy: -93.572
flat angles P-C4'-P energy: -60.665
tors. eta vs tors. theta energy: -128.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1373.101887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.101887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.101887 (E_RNA)
where:
Base-Base interactions energy: -930.538
where: short stacking energy: -393.736
Base-Backbone interact. energy: -3.297
local terms energy: -439.267377
where:
bonds (distance) C4'-P energy: -81.740
bonds (distance) P-C4' energy: -82.767
flat angles C4'-P-C4' energy: -85.662
flat angles P-C4'-P energy: -59.840
tors. eta vs tors. theta energy: -129.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1270.999076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.999076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.999076 (E_RNA)
where:
Base-Base interactions energy: -880.393
where: short stacking energy: -359.588
Base-Backbone interact. energy: -0.128
local terms energy: -390.477831
where:
bonds (distance) C4'-P energy: -74.913
bonds (distance) P-C4' energy: -69.812
flat angles C4'-P-C4' energy: -86.468
flat angles P-C4'-P energy: -60.171
tors. eta vs tors. theta energy: -99.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1287.982561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.982561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.982561 (E_RNA)
where:
Base-Base interactions energy: -887.009
where: short stacking energy: -367.092
Base-Backbone interact. energy: 0.005
local terms energy: -400.978899
where:
bonds (distance) C4'-P energy: -73.535
bonds (distance) P-C4' energy: -74.016
flat angles C4'-P-C4' energy: -71.827
flat angles P-C4'-P energy: -64.277
tors. eta vs tors. theta energy: -117.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1162.802652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.802652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.802652 (E_RNA)
where:
Base-Base interactions energy: -763.500
where: short stacking energy: -327.114
Base-Backbone interact. energy: -0.488
local terms energy: -398.814246
where:
bonds (distance) C4'-P energy: -76.197
bonds (distance) P-C4' energy: -77.387
flat angles C4'-P-C4' energy: -78.093
flat angles P-C4'-P energy: -56.565
tors. eta vs tors. theta energy: -110.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1031.673559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.673559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.673559 (E_RNA)
where:
Base-Base interactions energy: -711.277
where: short stacking energy: -278.378
Base-Backbone interact. energy: -0.267
local terms energy: -320.130256
where:
bonds (distance) C4'-P energy: -57.979
bonds (distance) P-C4' energy: -71.858
flat angles C4'-P-C4' energy: -69.814
flat angles P-C4'-P energy: -44.198
tors. eta vs tors. theta energy: -76.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -763.356801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.356801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.356801 (E_RNA)
where:
Base-Base interactions energy: -462.410
where: short stacking energy: -207.303
Base-Backbone interact. energy: -3.756
local terms energy: -297.190771
where:
bonds (distance) C4'-P energy: -71.086
bonds (distance) P-C4' energy: -77.908
flat angles C4'-P-C4' energy: -60.669
flat angles P-C4'-P energy: -35.243
tors. eta vs tors. theta energy: -52.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -420.737588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.737588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.737588 (E_RNA)
where:
Base-Base interactions energy: -188.795
where: short stacking energy: -126.974
Base-Backbone interact. energy: 2.293
local terms energy: -234.235191
where:
bonds (distance) C4'-P energy: -60.862
bonds (distance) P-C4' energy: -65.431
flat angles C4'-P-C4' energy: -67.059
flat angles P-C4'-P energy: -33.186
tors. eta vs tors. theta energy: -7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -436.653976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.653976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.653976 (E_RNA)
where:
Base-Base interactions energy: -229.956
where: short stacking energy: -127.954
Base-Backbone interact. energy: 2.055
local terms energy: -208.753275
where:
bonds (distance) C4'-P energy: -61.185
bonds (distance) P-C4' energy: -60.052
flat angles C4'-P-C4' energy: -55.872
flat angles P-C4'-P energy: -28.310
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -325.296913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.296913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.296913 (E_RNA)
where:
Base-Base interactions energy: -101.576
where: short stacking energy: -86.793
Base-Backbone interact. energy: 0.654
local terms energy: -224.374967
where:
bonds (distance) C4'-P energy: -56.690
bonds (distance) P-C4' energy: -78.307
flat angles C4'-P-C4' energy: -57.472
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: 1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1408.194589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.194589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.194589 (E_RNA)
where:
Base-Base interactions energy: -971.887
where: short stacking energy: -404.835
Base-Backbone interact. energy: -0.475
local terms energy: -435.832269
where:
bonds (distance) C4'-P energy: -86.921
bonds (distance) P-C4' energy: -77.574
flat angles C4'-P-C4' energy: -86.181
flat angles P-C4'-P energy: -65.255
tors. eta vs tors. theta energy: -119.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1339.287674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.287674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.287674 (E_RNA)
where:
Base-Base interactions energy: -930.633
where: short stacking energy: -375.403
Base-Backbone interact. energy: 3.441
local terms energy: -412.095737
where:
bonds (distance) C4'-P energy: -78.811
bonds (distance) P-C4' energy: -69.777
flat angles C4'-P-C4' energy: -90.685
flat angles P-C4'-P energy: -55.629
tors. eta vs tors. theta energy: -117.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1329.552849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.552849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.552849 (E_RNA)
where:
Base-Base interactions energy: -910.877
where: short stacking energy: -371.648
Base-Backbone interact. energy: -0.540
local terms energy: -418.135189
where:
bonds (distance) C4'-P energy: -76.347
bonds (distance) P-C4' energy: -81.608
flat angles C4'-P-C4' energy: -87.530
flat angles P-C4'-P energy: -52.649
tors. eta vs tors. theta energy: -120.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1231.576934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.576934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.576934 (E_RNA)
where:
Base-Base interactions energy: -834.109
where: short stacking energy: -341.066
Base-Backbone interact. energy: -1.786
local terms energy: -395.681489
where:
bonds (distance) C4'-P energy: -76.510
bonds (distance) P-C4' energy: -67.370
flat angles C4'-P-C4' energy: -91.970
flat angles P-C4'-P energy: -57.940
tors. eta vs tors. theta energy: -101.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1135.762789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.762789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.762789 (E_RNA)
where:
Base-Base interactions energy: -753.615
where: short stacking energy: -310.997
Base-Backbone interact. energy: -2.459
local terms energy: -379.688555
where:
bonds (distance) C4'-P energy: -80.393
bonds (distance) P-C4' energy: -76.395
flat angles C4'-P-C4' energy: -85.509
flat angles P-C4'-P energy: -48.841
tors. eta vs tors. theta energy: -88.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1060.604280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.604280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.604280 (E_RNA)
where:
Base-Base interactions energy: -722.160
where: short stacking energy: -307.863
Base-Backbone interact. energy: -2.100
local terms energy: -336.344944
where:
bonds (distance) C4'-P energy: -66.926
bonds (distance) P-C4' energy: -70.387
flat angles C4'-P-C4' energy: -69.944
flat angles P-C4'-P energy: -48.029
tors. eta vs tors. theta energy: -81.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -794.371005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.371005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.371005 (E_RNA)
where:
Base-Base interactions energy: -510.351
where: short stacking energy: -218.300
Base-Backbone interact. energy: -2.273
local terms energy: -281.747039
where:
bonds (distance) C4'-P energy: -46.866
bonds (distance) P-C4' energy: -64.427
flat angles C4'-P-C4' energy: -70.638
flat angles P-C4'-P energy: -44.173
tors. eta vs tors. theta energy: -55.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -407.787129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.787129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.787129 (E_RNA)
where:
Base-Base interactions energy: -161.448
where: short stacking energy: -141.529
Base-Backbone interact. energy: -1.524
local terms energy: -244.814991
where:
bonds (distance) C4'-P energy: -62.641
bonds (distance) P-C4' energy: -73.518
flat angles C4'-P-C4' energy: -60.843
flat angles P-C4'-P energy: -36.113
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -449.535571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.535571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.535571 (E_RNA)
where:
Base-Base interactions energy: -220.795
where: short stacking energy: -136.446
Base-Backbone interact. energy: 0.307
local terms energy: -229.047850
where:
bonds (distance) C4'-P energy: -64.287
bonds (distance) P-C4' energy: -66.605
flat angles C4'-P-C4' energy: -70.056
flat angles P-C4'-P energy: -36.643
tors. eta vs tors. theta energy: 8.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -344.221538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.221538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.221538 (E_RNA)
where:
Base-Base interactions energy: -122.601
where: short stacking energy: -89.980
Base-Backbone interact. energy: -0.420
local terms energy: -221.200693
where:
bonds (distance) C4'-P energy: -73.467
bonds (distance) P-C4' energy: -66.202
flat angles C4'-P-C4' energy: -52.838
flat angles P-C4'-P energy: -39.769
tors. eta vs tors. theta energy: 11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1431.387885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.387885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.387885 (E_RNA)
where:
Base-Base interactions energy: -972.916
where: short stacking energy: -402.359
Base-Backbone interact. energy: -1.137
local terms energy: -457.334921
where:
bonds (distance) C4'-P energy: -86.850
bonds (distance) P-C4' energy: -84.451
flat angles C4'-P-C4' energy: -89.326
flat angles P-C4'-P energy: -68.151
tors. eta vs tors. theta energy: -128.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1332.703908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.703908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.703908 (E_RNA)
where:
Base-Base interactions energy: -925.216
where: short stacking energy: -377.814
Base-Backbone interact. energy: 0.678
local terms energy: -408.165662
where:
bonds (distance) C4'-P energy: -74.741
bonds (distance) P-C4' energy: -77.139
flat angles C4'-P-C4' energy: -75.412
flat angles P-C4'-P energy: -59.618
tors. eta vs tors. theta energy: -121.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1303.121620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.121620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.121620 (E_RNA)
where:
Base-Base interactions energy: -891.094
where: short stacking energy: -352.522
Base-Backbone interact. energy: -1.539
local terms energy: -410.489084
where:
bonds (distance) C4'-P energy: -77.346
bonds (distance) P-C4' energy: -83.307
flat angles C4'-P-C4' energy: -77.387
flat angles P-C4'-P energy: -61.269
tors. eta vs tors. theta energy: -111.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1242.807110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.807110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.807110 (E_RNA)
where:
Base-Base interactions energy: -866.840
where: short stacking energy: -354.672
Base-Backbone interact. energy: -1.480
local terms energy: -374.487254
where:
bonds (distance) C4'-P energy: -61.192
bonds (distance) P-C4' energy: -64.814
flat angles C4'-P-C4' energy: -85.737
flat angles P-C4'-P energy: -59.922
tors. eta vs tors. theta energy: -102.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1164.031133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.031133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.031133 (E_RNA)
where:
Base-Base interactions energy: -795.162
where: short stacking energy: -353.959
Base-Backbone interact. energy: -0.919
local terms energy: -367.950345
where:
bonds (distance) C4'-P energy: -69.929
bonds (distance) P-C4' energy: -65.583
flat angles C4'-P-C4' energy: -81.285
flat angles P-C4'-P energy: -49.843
tors. eta vs tors. theta energy: -101.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1031.020589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.020589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.020589 (E_RNA)
where:
Base-Base interactions energy: -670.227
where: short stacking energy: -274.398
Base-Backbone interact. energy: -1.298
local terms energy: -359.495122
where:
bonds (distance) C4'-P energy: -75.878
bonds (distance) P-C4' energy: -79.920
flat angles C4'-P-C4' energy: -82.508
flat angles P-C4'-P energy: -50.580
tors. eta vs tors. theta energy: -70.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -839.230416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.230416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.230416 (E_RNA)
where:
Base-Base interactions energy: -510.443
where: short stacking energy: -226.774
Base-Backbone interact. energy: -1.219
local terms energy: -327.567929
where:
bonds (distance) C4'-P energy: -78.417
bonds (distance) P-C4' energy: -74.672
flat angles C4'-P-C4' energy: -70.692
flat angles P-C4'-P energy: -39.065
tors. eta vs tors. theta energy: -64.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -451.255498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.255498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.255498 (E_RNA)
where:
Base-Base interactions energy: -219.944
where: short stacking energy: -141.548
Base-Backbone interact. energy: 2.492
local terms energy: -233.803518
where:
bonds (distance) C4'-P energy: -59.519
bonds (distance) P-C4' energy: -70.484
flat angles C4'-P-C4' energy: -60.332
flat angles P-C4'-P energy: -30.675
tors. eta vs tors. theta energy: -12.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -405.429610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.429610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.429610 (E_RNA)
where:
Base-Base interactions energy: -171.407
where: short stacking energy: -111.599
Base-Backbone interact. energy: 2.364
local terms energy: -236.386338
where:
bonds (distance) C4'-P energy: -53.665
bonds (distance) P-C4' energy: -75.743
flat angles C4'-P-C4' energy: -68.375
flat angles P-C4'-P energy: -46.938
tors. eta vs tors. theta energy: 8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -320.542038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.542038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.542038 (E_RNA)
where:
Base-Base interactions energy: -118.105
where: short stacking energy: -78.929
Base-Backbone interact. energy: -1.786
local terms energy: -200.651377
where:
bonds (distance) C4'-P energy: -64.850
bonds (distance) P-C4' energy: -70.279
flat angles C4'-P-C4' energy: -49.822
flat angles P-C4'-P energy: -27.657
tors. eta vs tors. theta energy: 11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1406.680820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.680820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.680820 (E_RNA)
where:
Base-Base interactions energy: -965.865
where: short stacking energy: -420.882
Base-Backbone interact. energy: -0.966
local terms energy: -439.849889
where:
bonds (distance) C4'-P energy: -81.794
bonds (distance) P-C4' energy: -81.714
flat angles C4'-P-C4' energy: -85.235
flat angles P-C4'-P energy: -68.162
tors. eta vs tors. theta energy: -122.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1336.939966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.939966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.939966 (E_RNA)
where:
Base-Base interactions energy: -895.103
where: short stacking energy: -375.161
Base-Backbone interact. energy: 0.478
local terms energy: -442.315054
where:
bonds (distance) C4'-P energy: -78.534
bonds (distance) P-C4' energy: -84.565
flat angles C4'-P-C4' energy: -92.784
flat angles P-C4'-P energy: -64.179
tors. eta vs tors. theta energy: -122.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1330.102919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.102919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.102919 (E_RNA)
where:
Base-Base interactions energy: -929.742
where: short stacking energy: -378.545
Base-Backbone interact. energy: -2.826
local terms energy: -397.534166
where:
bonds (distance) C4'-P energy: -58.965
bonds (distance) P-C4' energy: -83.416
flat angles C4'-P-C4' energy: -85.157
flat angles P-C4'-P energy: -58.059
tors. eta vs tors. theta energy: -111.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1239.606737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.606737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.606737 (E_RNA)
where:
Base-Base interactions energy: -865.134
where: short stacking energy: -337.389
Base-Backbone interact. energy: 3.266
local terms energy: -377.738219
where:
bonds (distance) C4'-P energy: -70.827
bonds (distance) P-C4' energy: -75.544
flat angles C4'-P-C4' energy: -90.591
flat angles P-C4'-P energy: -53.510
tors. eta vs tors. theta energy: -87.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1171.317672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.317672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.317672 (E_RNA)
where:
Base-Base interactions energy: -798.071
where: short stacking energy: -350.568
Base-Backbone interact. energy: -2.091
local terms energy: -371.156128
where:
bonds (distance) C4'-P energy: -61.140
bonds (distance) P-C4' energy: -72.823
flat angles C4'-P-C4' energy: -76.924
flat angles P-C4'-P energy: -57.129
tors. eta vs tors. theta energy: -103.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -984.203294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.203294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.203294 (E_RNA)
where:
Base-Base interactions energy: -641.091
where: short stacking energy: -291.190
Base-Backbone interact. energy: -3.961
local terms energy: -339.151124
where:
bonds (distance) C4'-P energy: -77.396
bonds (distance) P-C4' energy: -65.600
flat angles C4'-P-C4' energy: -75.408
flat angles P-C4'-P energy: -49.415
tors. eta vs tors. theta energy: -71.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -848.098745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.098745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.098745 (E_RNA)
where:
Base-Base interactions energy: -522.889
where: short stacking energy: -245.270
Base-Backbone interact. energy: -1.157
local terms energy: -324.053577
where:
bonds (distance) C4'-P energy: -64.165
bonds (distance) P-C4' energy: -76.559
flat angles C4'-P-C4' energy: -83.420
flat angles P-C4'-P energy: -33.641
tors. eta vs tors. theta energy: -66.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -468.526741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.526741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.526741 (E_RNA)
where:
Base-Base interactions energy: -227.437
where: short stacking energy: -134.549
Base-Backbone interact. energy: 6.429
local terms energy: -247.517939
where:
bonds (distance) C4'-P energy: -53.662
bonds (distance) P-C4' energy: -68.238
flat angles C4'-P-C4' energy: -60.239
flat angles P-C4'-P energy: -47.937
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -320.896369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.896369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.896369 (E_RNA)
where:
Base-Base interactions energy: -88.221
where: short stacking energy: -73.762
Base-Backbone interact. energy: -1.051
local terms energy: -231.623708
where:
bonds (distance) C4'-P energy: -65.323
bonds (distance) P-C4' energy: -70.667
flat angles C4'-P-C4' energy: -67.500
flat angles P-C4'-P energy: -39.592
tors. eta vs tors. theta energy: 11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -343.530553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.530553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.530553 (E_RNA)
where:
Base-Base interactions energy: -104.062
where: short stacking energy: -75.476
Base-Backbone interact. energy: 0.726
local terms energy: -240.195256
where:
bonds (distance) C4'-P energy: -72.032
bonds (distance) P-C4' energy: -83.431
flat angles C4'-P-C4' energy: -52.820
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: 10.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1408.449391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.449391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.449391 (E_RNA)
where:
Base-Base interactions energy: -963.806
where: short stacking energy: -416.250
Base-Backbone interact. energy: -0.440
local terms energy: -444.203027
where:
bonds (distance) C4'-P energy: -72.722
bonds (distance) P-C4' energy: -82.362
flat angles C4'-P-C4' energy: -97.289
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: -132.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1345.213850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.213850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.213850 (E_RNA)
where:
Base-Base interactions energy: -905.972
where: short stacking energy: -391.990
Base-Backbone interact. energy: -2.166
local terms energy: -437.075696
where:
bonds (distance) C4'-P energy: -84.174
bonds (distance) P-C4' energy: -72.845
flat angles C4'-P-C4' energy: -98.127
flat angles P-C4'-P energy: -58.799
tors. eta vs tors. theta energy: -123.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1315.279650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.279650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.279650 (E_RNA)
where:
Base-Base interactions energy: -895.057
where: short stacking energy: -358.193
Base-Backbone interact. energy: -2.129
local terms energy: -418.093912
where:
bonds (distance) C4'-P energy: -70.399
bonds (distance) P-C4' energy: -90.219
flat angles C4'-P-C4' energy: -87.701
flat angles P-C4'-P energy: -58.325
tors. eta vs tors. theta energy: -111.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1240.807847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.807847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.807847 (E_RNA)
where:
Base-Base interactions energy: -856.147
where: short stacking energy: -361.195
Base-Backbone interact. energy: -2.717
local terms energy: -381.943221
where:
bonds (distance) C4'-P energy: -65.865
bonds (distance) P-C4' energy: -70.019
flat angles C4'-P-C4' energy: -85.343
flat angles P-C4'-P energy: -59.567
tors. eta vs tors. theta energy: -101.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1154.947714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.947714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.947714 (E_RNA)
where:
Base-Base interactions energy: -771.428
where: short stacking energy: -332.757
Base-Backbone interact. energy: -2.060
local terms energy: -381.459801
where:
bonds (distance) C4'-P energy: -77.522
bonds (distance) P-C4' energy: -77.314
flat angles C4'-P-C4' energy: -83.157
flat angles P-C4'-P energy: -44.517
tors. eta vs tors. theta energy: -98.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1018.662891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.662891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.662891 (E_RNA)
where:
Base-Base interactions energy: -669.843
where: short stacking energy: -292.210
Base-Backbone interact. energy: -0.463
local terms energy: -348.357137
where:
bonds (distance) C4'-P energy: -58.330
bonds (distance) P-C4' energy: -69.647
flat angles C4'-P-C4' energy: -82.456
flat angles P-C4'-P energy: -61.892
tors. eta vs tors. theta energy: -76.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -796.799356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.799356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.799356 (E_RNA)
where:
Base-Base interactions energy: -472.566
where: short stacking energy: -217.059
Base-Backbone interact. energy: -2.729
local terms energy: -321.504198
where:
bonds (distance) C4'-P energy: -69.624
bonds (distance) P-C4' energy: -70.009
flat angles C4'-P-C4' energy: -77.710
flat angles P-C4'-P energy: -55.401
tors. eta vs tors. theta energy: -48.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -505.218655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.218655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.218655 (E_RNA)
where:
Base-Base interactions energy: -244.271
where: short stacking energy: -123.305
Base-Backbone interact. energy: 2.098
local terms energy: -263.045244
where:
bonds (distance) C4'-P energy: -76.931
bonds (distance) P-C4' energy: -67.118
flat angles C4'-P-C4' energy: -64.872
flat angles P-C4'-P energy: -46.787
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -332.188538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.188538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.188538 (E_RNA)
where:
Base-Base interactions energy: -104.921
where: short stacking energy: -88.047
Base-Backbone interact. energy: -1.266
local terms energy: -226.001752
where:
bonds (distance) C4'-P energy: -72.011
bonds (distance) P-C4' energy: -88.475
flat angles C4'-P-C4' energy: -47.830
flat angles P-C4'-P energy: -28.736
tors. eta vs tors. theta energy: 11.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -321.225817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.225817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.225817 (E_RNA)
where:
Base-Base interactions energy: -111.633
where: short stacking energy: -68.456
Base-Backbone interact. energy: 2.705
local terms energy: -212.297630
where:
bonds (distance) C4'-P energy: -54.294
bonds (distance) P-C4' energy: -70.366
flat angles C4'-P-C4' energy: -60.905
flat angles P-C4'-P energy: -45.697
tors. eta vs tors. theta energy: 18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1421.239741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.239741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.239741 (E_RNA)
where:
Base-Base interactions energy: -956.462
where: short stacking energy: -388.986
Base-Backbone interact. energy: -0.713
local terms energy: -464.065406
where:
bonds (distance) C4'-P energy: -82.598
bonds (distance) P-C4' energy: -87.865
flat angles C4'-P-C4' energy: -97.605
flat angles P-C4'-P energy: -69.349
tors. eta vs tors. theta energy: -126.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1336.055286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.055286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.055286 (E_RNA)
where:
Base-Base interactions energy: -919.224
where: short stacking energy: -383.614
Base-Backbone interact. energy: -0.107
local terms energy: -416.724328
where:
bonds (distance) C4'-P energy: -74.410
bonds (distance) P-C4' energy: -77.605
flat angles C4'-P-C4' energy: -84.741
flat angles P-C4'-P energy: -56.699
tors. eta vs tors. theta energy: -123.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1327.089796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.089796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.089796 (E_RNA)
where:
Base-Base interactions energy: -912.040
where: short stacking energy: -374.781
Base-Backbone interact. energy: -2.811
local terms energy: -412.239191
where:
bonds (distance) C4'-P energy: -71.895
bonds (distance) P-C4' energy: -80.063
flat angles C4'-P-C4' energy: -82.877
flat angles P-C4'-P energy: -62.146
tors. eta vs tors. theta energy: -115.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1239.339449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.339449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.339449 (E_RNA)
where:
Base-Base interactions energy: -836.951
where: short stacking energy: -332.701
Base-Backbone interact. energy: -2.221
local terms energy: -400.167578
where:
bonds (distance) C4'-P energy: -73.756
bonds (distance) P-C4' energy: -80.506
flat angles C4'-P-C4' energy: -76.657
flat angles P-C4'-P energy: -68.865
tors. eta vs tors. theta energy: -100.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1158.807414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.807414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.807414 (E_RNA)
where:
Base-Base interactions energy: -806.734
where: short stacking energy: -334.176
Base-Backbone interact. energy: -1.366
local terms energy: -350.706914
where:
bonds (distance) C4'-P energy: -59.123
bonds (distance) P-C4' energy: -63.763
flat angles C4'-P-C4' energy: -79.254
flat angles P-C4'-P energy: -50.594
tors. eta vs tors. theta energy: -97.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1035.630354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.630354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.630354 (E_RNA)
where:
Base-Base interactions energy: -686.797
where: short stacking energy: -290.771
Base-Backbone interact. energy: -2.206
local terms energy: -346.626861
where:
bonds (distance) C4'-P energy: -64.614
bonds (distance) P-C4' energy: -70.485
flat angles C4'-P-C4' energy: -83.053
flat angles P-C4'-P energy: -48.664
tors. eta vs tors. theta energy: -79.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -774.811921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.811921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.811921 (E_RNA)
where:
Base-Base interactions energy: -467.721
where: short stacking energy: -214.850
Base-Backbone interact. energy: -1.427
local terms energy: -305.664390
where:
bonds (distance) C4'-P energy: -67.895
bonds (distance) P-C4' energy: -71.314
flat angles C4'-P-C4' energy: -77.034
flat angles P-C4'-P energy: -45.778
tors. eta vs tors. theta energy: -43.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -504.089606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.089606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.089606 (E_RNA)
where:
Base-Base interactions energy: -261.111
where: short stacking energy: -120.297
Base-Backbone interact. energy: -2.843
local terms energy: -240.135283
where:
bonds (distance) C4'-P energy: -58.658
bonds (distance) P-C4' energy: -74.318
flat angles C4'-P-C4' energy: -71.476
flat angles P-C4'-P energy: -30.747
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -328.126272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.126272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.126272 (E_RNA)
where:
Base-Base interactions energy: -115.234
where: short stacking energy: -88.547
Base-Backbone interact. energy: 2.543
local terms energy: -215.434924
where:
bonds (distance) C4'-P energy: -69.585
bonds (distance) P-C4' energy: -73.390
flat angles C4'-P-C4' energy: -65.689
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: 12.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -326.263032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.263032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.263032 (E_RNA)
where:
Base-Base interactions energy: -107.269
where: short stacking energy: -89.944
Base-Backbone interact. energy: -0.428
local terms energy: -218.566527
where:
bonds (distance) C4'-P energy: -61.196
bonds (distance) P-C4' energy: -75.231
flat angles C4'-P-C4' energy: -48.833
flat angles P-C4'-P energy: -37.493
tors. eta vs tors. theta energy: 4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1411.583302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.583302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.583302 (E_RNA)
where:
Base-Base interactions energy: -954.985
where: short stacking energy: -409.021
Base-Backbone interact. energy: 0.134
local terms energy: -456.731722
where:
bonds (distance) C4'-P energy: -81.231
bonds (distance) P-C4' energy: -81.271
flat angles C4'-P-C4' energy: -97.298
flat angles P-C4'-P energy: -65.311
tors. eta vs tors. theta energy: -131.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1350.966298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.966298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.966298 (E_RNA)
where:
Base-Base interactions energy: -924.978
where: short stacking energy: -382.258
Base-Backbone interact. energy: -3.777
local terms energy: -422.211312
where:
bonds (distance) C4'-P energy: -80.178
bonds (distance) P-C4' energy: -67.897
flat angles C4'-P-C4' energy: -90.621
flat angles P-C4'-P energy: -59.461
tors. eta vs tors. theta energy: -124.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1277.246222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.246222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.246222 (E_RNA)
where:
Base-Base interactions energy: -874.732
where: short stacking energy: -346.607
Base-Backbone interact. energy: -1.217
local terms energy: -401.296596
where:
bonds (distance) C4'-P energy: -80.076
bonds (distance) P-C4' energy: -83.941
flat angles C4'-P-C4' energy: -78.813
flat angles P-C4'-P energy: -53.121
tors. eta vs tors. theta energy: -105.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1202.255590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.255590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.255590 (E_RNA)
where:
Base-Base interactions energy: -815.325
where: short stacking energy: -352.125
Base-Backbone interact. energy: -1.624
local terms energy: -385.305900
where:
bonds (distance) C4'-P energy: -70.213
bonds (distance) P-C4' energy: -71.773
flat angles C4'-P-C4' energy: -80.562
flat angles P-C4'-P energy: -47.901
tors. eta vs tors. theta energy: -114.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1197.585561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.585561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.585561 (E_RNA)
where:
Base-Base interactions energy: -831.430
where: short stacking energy: -330.889
Base-Backbone interact. energy: 0.240
local terms energy: -366.395362
where:
bonds (distance) C4'-P energy: -67.033
bonds (distance) P-C4' energy: -72.283
flat angles C4'-P-C4' energy: -84.654
flat angles P-C4'-P energy: -50.302
tors. eta vs tors. theta energy: -92.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1018.009011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.009011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.009011 (E_RNA)
where:
Base-Base interactions energy: -678.314
where: short stacking energy: -288.453
Base-Backbone interact. energy: 0.674
local terms energy: -340.369306
where:
bonds (distance) C4'-P energy: -80.613
bonds (distance) P-C4' energy: -68.860
flat angles C4'-P-C4' energy: -75.809
flat angles P-C4'-P energy: -46.845
tors. eta vs tors. theta energy: -68.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -772.205943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.205943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.205943 (E_RNA)
where:
Base-Base interactions energy: -465.366
where: short stacking energy: -230.606
Base-Backbone interact. energy: 1.769
local terms energy: -308.609141
where:
bonds (distance) C4'-P energy: -70.989
bonds (distance) P-C4' energy: -65.432
flat angles C4'-P-C4' energy: -71.129
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -58.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -383.063129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.063129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.063129 (E_RNA)
where:
Base-Base interactions energy: -155.796
where: short stacking energy: -130.023
Base-Backbone interact. energy: -0.102
local terms energy: -227.164667
where:
bonds (distance) C4'-P energy: -62.269
bonds (distance) P-C4' energy: -68.988
flat angles C4'-P-C4' energy: -64.088
flat angles P-C4'-P energy: -33.324
tors. eta vs tors. theta energy: 1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -419.823722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.823722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.823722 (E_RNA)
where:
Base-Base interactions energy: -202.630
where: short stacking energy: -123.124
Base-Backbone interact. energy: 3.051
local terms energy: -220.245053
where:
bonds (distance) C4'-P energy: -54.361
bonds (distance) P-C4' energy: -67.060
flat angles C4'-P-C4' energy: -51.599
flat angles P-C4'-P energy: -38.778
tors. eta vs tors. theta energy: -8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -329.920233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.920233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.920233 (E_RNA)
where:
Base-Base interactions energy: -129.818
where: short stacking energy: -86.650
Base-Backbone interact. energy: -0.676
local terms energy: -199.425957
where:
bonds (distance) C4'-P energy: -64.642
bonds (distance) P-C4' energy: -72.018
flat angles C4'-P-C4' energy: -38.629
flat angles P-C4'-P energy: -36.955
tors. eta vs tors. theta energy: 12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1429.169509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.169509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.169509 (E_RNA)
where:
Base-Base interactions energy: -987.198
where: short stacking energy: -426.764
Base-Backbone interact. energy: -1.466
local terms energy: -440.505783
where:
bonds (distance) C4'-P energy: -79.287
bonds (distance) P-C4' energy: -71.744
flat angles C4'-P-C4' energy: -92.918
flat angles P-C4'-P energy: -64.626
tors. eta vs tors. theta energy: -131.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1339.127756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.127756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.127756 (E_RNA)
where:
Base-Base interactions energy: -917.468
where: short stacking energy: -370.219
Base-Backbone interact. energy: -0.442
local terms energy: -421.217972
where:
bonds (distance) C4'-P energy: -73.603
bonds (distance) P-C4' energy: -81.935
flat angles C4'-P-C4' energy: -88.712
flat angles P-C4'-P energy: -63.756
tors. eta vs tors. theta energy: -113.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1308.016896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.016896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.016896 (E_RNA)
where:
Base-Base interactions energy: -910.158
where: short stacking energy: -359.895
Base-Backbone interact. energy: 0.595
local terms energy: -398.454026
where:
bonds (distance) C4'-P energy: -73.325
bonds (distance) P-C4' energy: -83.732
flat angles C4'-P-C4' energy: -95.023
flat angles P-C4'-P energy: -46.756
tors. eta vs tors. theta energy: -99.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1218.057067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.057067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.057067 (E_RNA)
where:
Base-Base interactions energy: -808.112
where: short stacking energy: -339.724
Base-Backbone interact. energy: -2.425
local terms energy: -407.520096
where:
bonds (distance) C4'-P energy: -73.348
bonds (distance) P-C4' energy: -82.820
flat angles C4'-P-C4' energy: -86.341
flat angles P-C4'-P energy: -61.596
tors. eta vs tors. theta energy: -103.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1196.510233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.510233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.510233 (E_RNA)
where:
Base-Base interactions energy: -828.325
where: short stacking energy: -326.951
Base-Backbone interact. energy: 2.509
local terms energy: -370.694085
where:
bonds (distance) C4'-P energy: -75.464
bonds (distance) P-C4' energy: -74.955
flat angles C4'-P-C4' energy: -85.187
flat angles P-C4'-P energy: -49.074
tors. eta vs tors. theta energy: -86.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1037.388578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.388578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.388578 (E_RNA)
where:
Base-Base interactions energy: -666.845
where: short stacking energy: -281.198
Base-Backbone interact. energy: -3.235
local terms energy: -367.307963
where:
bonds (distance) C4'-P energy: -77.566
bonds (distance) P-C4' energy: -75.126
flat angles C4'-P-C4' energy: -81.600
flat angles P-C4'-P energy: -50.896
tors. eta vs tors. theta energy: -82.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -773.641213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.641213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.641213 (E_RNA)
where:
Base-Base interactions energy: -488.956
where: short stacking energy: -226.410
Base-Backbone interact. energy: -0.543
local terms energy: -284.141684
where:
bonds (distance) C4'-P energy: -59.864
bonds (distance) P-C4' energy: -77.203
flat angles C4'-P-C4' energy: -58.168
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -49.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -370.547118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.547118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.547118 (E_RNA)
where:
Base-Base interactions energy: -114.165
where: short stacking energy: -90.940
Base-Backbone interact. energy: 0.227
local terms energy: -256.608792
where:
bonds (distance) C4'-P energy: -65.862
bonds (distance) P-C4' energy: -78.257
flat angles C4'-P-C4' energy: -73.448
flat angles P-C4'-P energy: -38.238
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -416.585515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.585515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.585515 (E_RNA)
where:
Base-Base interactions energy: -188.516
where: short stacking energy: -100.590
Base-Backbone interact. energy: 1.222
local terms energy: -229.291297
where:
bonds (distance) C4'-P energy: -64.933
bonds (distance) P-C4' energy: -67.168
flat angles C4'-P-C4' energy: -71.262
flat angles P-C4'-P energy: -29.400
tors. eta vs tors. theta energy: 3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -361.492342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.492342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.492342 (E_RNA)
where:
Base-Base interactions energy: -143.796
where: short stacking energy: -99.071
Base-Backbone interact. energy: -1.750
local terms energy: -215.946022
where:
bonds (distance) C4'-P energy: -54.961
bonds (distance) P-C4' energy: -72.454
flat angles C4'-P-C4' energy: -60.851
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1408.361204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.361204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.361204 (E_RNA)
where:
Base-Base interactions energy: -977.972
where: short stacking energy: -420.976
Base-Backbone interact. energy: -1.938
local terms energy: -428.451666
where:
bonds (distance) C4'-P energy: -77.120
bonds (distance) P-C4' energy: -76.488
flat angles C4'-P-C4' energy: -82.511
flat angles P-C4'-P energy: -63.589
tors. eta vs tors. theta energy: -128.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1329.769126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.769126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.769126 (E_RNA)
where:
Base-Base interactions energy: -897.365
where: short stacking energy: -374.730
Base-Backbone interact. energy: -1.729
local terms energy: -430.674624
where:
bonds (distance) C4'-P energy: -79.632
bonds (distance) P-C4' energy: -87.407
flat angles C4'-P-C4' energy: -91.538
flat angles P-C4'-P energy: -55.328
tors. eta vs tors. theta energy: -116.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1288.728254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.728254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.728254 (E_RNA)
where:
Base-Base interactions energy: -880.373
where: short stacking energy: -346.105
Base-Backbone interact. energy: -1.270
local terms energy: -407.084873
where:
bonds (distance) C4'-P energy: -79.704
bonds (distance) P-C4' energy: -71.667
flat angles C4'-P-C4' energy: -97.657
flat angles P-C4'-P energy: -51.577
tors. eta vs tors. theta energy: -106.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1235.423911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.423911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.423911 (E_RNA)
where:
Base-Base interactions energy: -853.121
where: short stacking energy: -330.309
Base-Backbone interact. energy: -1.984
local terms energy: -380.318800
where:
bonds (distance) C4'-P energy: -66.271
bonds (distance) P-C4' energy: -80.591
flat angles C4'-P-C4' energy: -79.744
flat angles P-C4'-P energy: -56.562
tors. eta vs tors. theta energy: -97.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1147.817770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.817770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.817770 (E_RNA)
where:
Base-Base interactions energy: -775.067
where: short stacking energy: -332.826
Base-Backbone interact. energy: -0.514
local terms energy: -372.236981
where:
bonds (distance) C4'-P energy: -62.128
bonds (distance) P-C4' energy: -76.253
flat angles C4'-P-C4' energy: -76.886
flat angles P-C4'-P energy: -61.965
tors. eta vs tors. theta energy: -95.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1074.005075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.005075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.005075 (E_RNA)
where:
Base-Base interactions energy: -737.247
where: short stacking energy: -312.783
Base-Backbone interact. energy: 0.790
local terms energy: -337.548878
where:
bonds (distance) C4'-P energy: -59.101
bonds (distance) P-C4' energy: -73.062
flat angles C4'-P-C4' energy: -68.728
flat angles P-C4'-P energy: -53.904
tors. eta vs tors. theta energy: -82.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -790.373481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.373481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.373481 (E_RNA)
where:
Base-Base interactions energy: -481.248
where: short stacking energy: -233.896
Base-Backbone interact. energy: -0.379
local terms energy: -308.745984
where:
bonds (distance) C4'-P energy: -56.542
bonds (distance) P-C4' energy: -77.672
flat angles C4'-P-C4' energy: -78.274
flat angles P-C4'-P energy: -39.498
tors. eta vs tors. theta energy: -56.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -438.584368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.584368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.584368 (E_RNA)
where:
Base-Base interactions energy: -202.082
where: short stacking energy: -106.722
Base-Backbone interact. energy: -2.123
local terms energy: -234.378905
where:
bonds (distance) C4'-P energy: -56.885
bonds (distance) P-C4' energy: -65.951
flat angles C4'-P-C4' energy: -71.982
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -364.987993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.987993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.987993 (E_RNA)
where:
Base-Base interactions energy: -124.546
where: short stacking energy: -109.130
Base-Backbone interact. energy: 2.576
local terms energy: -243.018741
where:
bonds (distance) C4'-P energy: -72.667
bonds (distance) P-C4' energy: -80.509
flat angles C4'-P-C4' energy: -60.020
flat angles P-C4'-P energy: -26.145
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -315.063576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.063576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.063576 (E_RNA)
where:
Base-Base interactions energy: -109.187
where: short stacking energy: -90.252
Base-Backbone interact. energy: 1.063
local terms energy: -206.939862
where:
bonds (distance) C4'-P energy: -54.215
bonds (distance) P-C4' energy: -60.459
flat angles C4'-P-C4' energy: -68.539
flat angles P-C4'-P energy: -28.248
tors. eta vs tors. theta energy: 4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1368.819186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.819186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.819186 (E_RNA)
where:
Base-Base interactions energy: -934.275
where: short stacking energy: -392.215
Base-Backbone interact. energy: -0.171
local terms energy: -434.373558
where:
bonds (distance) C4'-P energy: -81.601
bonds (distance) P-C4' energy: -77.218
flat angles C4'-P-C4' energy: -97.001
flat angles P-C4'-P energy: -59.839
tors. eta vs tors. theta energy: -118.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1399.247974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.247974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.247974 (E_RNA)
where:
Base-Base interactions energy: -963.933
where: short stacking energy: -396.211
Base-Backbone interact. energy: 1.330
local terms energy: -436.644924
where:
bonds (distance) C4'-P energy: -73.855
bonds (distance) P-C4' energy: -80.035
flat angles C4'-P-C4' energy: -92.722
flat angles P-C4'-P energy: -68.445
tors. eta vs tors. theta energy: -121.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1310.964866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.964866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.964866 (E_RNA)
where:
Base-Base interactions energy: -893.557
where: short stacking energy: -356.509
Base-Backbone interact. energy: 0.857
local terms energy: -418.264806
where:
bonds (distance) C4'-P energy: -79.434
bonds (distance) P-C4' energy: -78.811
flat angles C4'-P-C4' energy: -88.805
flat angles P-C4'-P energy: -53.390
tors. eta vs tors. theta energy: -117.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1258.274162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.274162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.274162 (E_RNA)
where:
Base-Base interactions energy: -881.249
where: short stacking energy: -337.474
Base-Backbone interact. energy: 1.145
local terms energy: -378.170225
where:
bonds (distance) C4'-P energy: -77.929
bonds (distance) P-C4' energy: -76.153
flat angles C4'-P-C4' energy: -74.225
flat angles P-C4'-P energy: -46.027
tors. eta vs tors. theta energy: -103.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1168.187675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.187675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.187675 (E_RNA)
where:
Base-Base interactions energy: -784.434
where: short stacking energy: -341.122
Base-Backbone interact. energy: -2.786
local terms energy: -380.967608
where:
bonds (distance) C4'-P energy: -69.248
bonds (distance) P-C4' energy: -64.189
flat angles C4'-P-C4' energy: -82.084
flat angles P-C4'-P energy: -55.881
tors. eta vs tors. theta energy: -109.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -986.561059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.561059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.561059 (E_RNA)
where:
Base-Base interactions energy: -651.564
where: short stacking energy: -277.828
Base-Backbone interact. energy: -1.953
local terms energy: -333.043430
where:
bonds (distance) C4'-P energy: -59.542
bonds (distance) P-C4' energy: -66.895
flat angles C4'-P-C4' energy: -84.065
flat angles P-C4'-P energy: -40.430
tors. eta vs tors. theta energy: -82.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -798.213746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.213746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.213746 (E_RNA)
where:
Base-Base interactions energy: -510.357
where: short stacking energy: -220.807
Base-Backbone interact. energy: 0.183
local terms energy: -288.040096
where:
bonds (distance) C4'-P energy: -73.724
bonds (distance) P-C4' energy: -68.507
flat angles C4'-P-C4' energy: -63.108
flat angles P-C4'-P energy: -26.844
tors. eta vs tors. theta energy: -55.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -551.931854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.931854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.931854 (E_RNA)
where:
Base-Base interactions energy: -300.006
where: short stacking energy: -144.983
Base-Backbone interact. energy: 0.005
local terms energy: -251.931105
where:
bonds (distance) C4'-P energy: -66.737
bonds (distance) P-C4' energy: -71.297
flat angles C4'-P-C4' energy: -49.144
flat angles P-C4'-P energy: -44.520
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -353.313722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.313722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.313722 (E_RNA)
where:
Base-Base interactions energy: -112.960
where: short stacking energy: -98.367
Base-Backbone interact. energy: -0.310
local terms energy: -240.043628
where:
bonds (distance) C4'-P energy: -61.797
bonds (distance) P-C4' energy: -73.498
flat angles C4'-P-C4' energy: -61.012
flat angles P-C4'-P energy: -45.907
tors. eta vs tors. theta energy: 2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -306.221831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.221831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.221831 (E_RNA)
where:
Base-Base interactions energy: -96.780
where: short stacking energy: -82.731
Base-Backbone interact. energy: 0.038
local terms energy: -209.479889
where:
bonds (distance) C4'-P energy: -61.775
bonds (distance) P-C4' energy: -69.538
flat angles C4'-P-C4' energy: -68.105
flat angles P-C4'-P energy: -31.339
tors. eta vs tors. theta energy: 21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1365.218595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.218595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.218595 (E_RNA)
where:
Base-Base interactions energy: -935.235
where: short stacking energy: -386.021
Base-Backbone interact. energy: -2.205
local terms energy: -427.778894
where:
bonds (distance) C4'-P energy: -81.086
bonds (distance) P-C4' energy: -80.888
flat angles C4'-P-C4' energy: -94.153
flat angles P-C4'-P energy: -53.143
tors. eta vs tors. theta energy: -118.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1409.759109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.759109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.759109 (E_RNA)
where:
Base-Base interactions energy: -956.565
where: short stacking energy: -403.306
Base-Backbone interact. energy: -0.380
local terms energy: -452.814446
where:
bonds (distance) C4'-P energy: -76.625
bonds (distance) P-C4' energy: -78.657
flat angles C4'-P-C4' energy: -94.544
flat angles P-C4'-P energy: -70.268
tors. eta vs tors. theta energy: -132.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1297.561225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.561225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.561225 (E_RNA)
where:
Base-Base interactions energy: -881.802
where: short stacking energy: -367.725
Base-Backbone interact. energy: -1.699
local terms energy: -414.059901
where:
bonds (distance) C4'-P energy: -85.528
bonds (distance) P-C4' energy: -68.175
flat angles C4'-P-C4' energy: -85.326
flat angles P-C4'-P energy: -59.599
tors. eta vs tors. theta energy: -115.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1230.299379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.299379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.299379 (E_RNA)
where:
Base-Base interactions energy: -859.629
where: short stacking energy: -326.040
Base-Backbone interact. energy: 1.025
local terms energy: -371.695304
where:
bonds (distance) C4'-P energy: -59.559
bonds (distance) P-C4' energy: -73.147
flat angles C4'-P-C4' energy: -88.726
flat angles P-C4'-P energy: -52.963
tors. eta vs tors. theta energy: -97.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1167.670043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.670043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.670043 (E_RNA)
where:
Base-Base interactions energy: -789.670
where: short stacking energy: -347.313
Base-Backbone interact. energy: -1.029
local terms energy: -376.971509
where:
bonds (distance) C4'-P energy: -77.197
bonds (distance) P-C4' energy: -75.189
flat angles C4'-P-C4' energy: -71.255
flat angles P-C4'-P energy: -52.851
tors. eta vs tors. theta energy: -100.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -968.529361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.529361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.529361 (E_RNA)
where:
Base-Base interactions energy: -647.415
where: short stacking energy: -290.076
Base-Backbone interact. energy: -1.165
local terms energy: -319.949546
where:
bonds (distance) C4'-P energy: -60.815
bonds (distance) P-C4' energy: -60.270
flat angles C4'-P-C4' energy: -80.319
flat angles P-C4'-P energy: -48.630
tors. eta vs tors. theta energy: -69.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -818.694093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.694093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.694093 (E_RNA)
where:
Base-Base interactions energy: -501.719
where: short stacking energy: -232.469
Base-Backbone interact. energy: 0.646
local terms energy: -317.620597
where:
bonds (distance) C4'-P energy: -76.266
bonds (distance) P-C4' energy: -77.243
flat angles C4'-P-C4' energy: -70.819
flat angles P-C4'-P energy: -36.154
tors. eta vs tors. theta energy: -57.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -577.339654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.339654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.339654 (E_RNA)
where:
Base-Base interactions energy: -308.463
where: short stacking energy: -146.227
Base-Backbone interact. energy: -2.218
local terms energy: -266.658957
where:
bonds (distance) C4'-P energy: -69.709
bonds (distance) P-C4' energy: -63.561
flat angles C4'-P-C4' energy: -72.032
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -337.102815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.102815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.102815 (E_RNA)
where:
Base-Base interactions energy: -118.904
where: short stacking energy: -104.689
Base-Backbone interact. energy: 0.109
local terms energy: -218.307076
where:
bonds (distance) C4'-P energy: -54.679
bonds (distance) P-C4' energy: -65.826
flat angles C4'-P-C4' energy: -50.081
flat angles P-C4'-P energy: -46.836
tors. eta vs tors. theta energy: -0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -310.150700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.150700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.150700 (E_RNA)
where:
Base-Base interactions energy: -92.662
where: short stacking energy: -85.727
Base-Backbone interact. energy: 1.170
local terms energy: -218.659042
where:
bonds (distance) C4'-P energy: -69.322
bonds (distance) P-C4' energy: -57.971
flat angles C4'-P-C4' energy: -59.208
flat angles P-C4'-P energy: -46.890
tors. eta vs tors. theta energy: 14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1430.598187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.598187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.598187 (E_RNA)
where:
Base-Base interactions energy: -984.458
where: short stacking energy: -409.203
Base-Backbone interact. energy: -0.832
local terms energy: -445.307948
where:
bonds (distance) C4'-P energy: -78.841
bonds (distance) P-C4' energy: -85.189
flat angles C4'-P-C4' energy: -94.054
flat angles P-C4'-P energy: -56.920
tors. eta vs tors. theta energy: -130.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1335.278650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.278650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.278650 (E_RNA)
where:
Base-Base interactions energy: -919.977
where: short stacking energy: -389.213
Base-Backbone interact. energy: -1.337
local terms energy: -413.964534
where:
bonds (distance) C4'-P energy: -81.233
bonds (distance) P-C4' energy: -72.977
flat angles C4'-P-C4' energy: -83.274
flat angles P-C4'-P energy: -58.882
tors. eta vs tors. theta energy: -117.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1286.823071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.823071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.823071 (E_RNA)
where:
Base-Base interactions energy: -879.240
where: short stacking energy: -370.017
Base-Backbone interact. energy: -3.807
local terms energy: -403.776028
where:
bonds (distance) C4'-P energy: -69.619
bonds (distance) P-C4' energy: -83.625
flat angles C4'-P-C4' energy: -87.326
flat angles P-C4'-P energy: -47.440
tors. eta vs tors. theta energy: -115.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1236.832364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.832364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.832364 (E_RNA)
where:
Base-Base interactions energy: -860.062
where: short stacking energy: -337.906
Base-Backbone interact. energy: -0.255
local terms energy: -376.515287
where:
bonds (distance) C4'-P energy: -77.663
bonds (distance) P-C4' energy: -70.111
flat angles C4'-P-C4' energy: -78.191
flat angles P-C4'-P energy: -53.400
tors. eta vs tors. theta energy: -97.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1151.052709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.052709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.052709 (E_RNA)
where:
Base-Base interactions energy: -756.839
where: short stacking energy: -316.164
Base-Backbone interact. energy: -3.006
local terms energy: -391.207798
where:
bonds (distance) C4'-P energy: -70.204
bonds (distance) P-C4' energy: -81.376
flat angles C4'-P-C4' energy: -86.426
flat angles P-C4'-P energy: -62.337
tors. eta vs tors. theta energy: -90.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1016.257138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.257138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.257138 (E_RNA)
where:
Base-Base interactions energy: -674.521
where: short stacking energy: -288.595
Base-Backbone interact. energy: -0.243
local terms energy: -341.493060
where:
bonds (distance) C4'-P energy: -62.614
bonds (distance) P-C4' energy: -72.294
flat angles C4'-P-C4' energy: -76.439
flat angles P-C4'-P energy: -59.650
tors. eta vs tors. theta energy: -70.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -849.272145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.272145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.272145 (E_RNA)
where:
Base-Base interactions energy: -532.368
where: short stacking energy: -214.330
Base-Backbone interact. energy: -1.703
local terms energy: -315.200784
where:
bonds (distance) C4'-P energy: -65.980
bonds (distance) P-C4' energy: -59.006
flat angles C4'-P-C4' energy: -79.525
flat angles P-C4'-P energy: -54.130
tors. eta vs tors. theta energy: -56.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -555.326854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.326854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.326854 (E_RNA)
where:
Base-Base interactions energy: -309.439
where: short stacking energy: -151.711
Base-Backbone interact. energy: -0.314
local terms energy: -245.574632
where:
bonds (distance) C4'-P energy: -70.539
bonds (distance) P-C4' energy: -60.415
flat angles C4'-P-C4' energy: -69.276
flat angles P-C4'-P energy: -36.623
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -342.268596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.268596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.268596 (E_RNA)
where:
Base-Base interactions energy: -120.457
where: short stacking energy: -97.655
Base-Backbone interact. energy: 1.386
local terms energy: -223.197233
where:
bonds (distance) C4'-P energy: -68.548
bonds (distance) P-C4' energy: -71.498
flat angles C4'-P-C4' energy: -62.258
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: 6.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -305.937257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.937257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.937257 (E_RNA)
where:
Base-Base interactions energy: -76.043
where: short stacking energy: -72.099
Base-Backbone interact. energy: 0.569
local terms energy: -230.462912
where:
bonds (distance) C4'-P energy: -71.210
bonds (distance) P-C4' energy: -71.870
flat angles C4'-P-C4' energy: -69.438
flat angles P-C4'-P energy: -30.067
tors. eta vs tors. theta energy: 12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1418.091988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.091988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.091988 (E_RNA)
where:
Base-Base interactions energy: -958.184
where: short stacking energy: -404.494
Base-Backbone interact. energy: -1.679
local terms energy: -458.228928
where:
bonds (distance) C4'-P energy: -85.345
bonds (distance) P-C4' energy: -85.035
flat angles C4'-P-C4' energy: -94.231
flat angles P-C4'-P energy: -67.322
tors. eta vs tors. theta energy: -126.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1305.954683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.954683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.954683 (E_RNA)
where:
Base-Base interactions energy: -886.912
where: short stacking energy: -370.201
Base-Backbone interact. energy: 1.725
local terms energy: -420.767904
where:
bonds (distance) C4'-P energy: -75.768
bonds (distance) P-C4' energy: -84.585
flat angles C4'-P-C4' energy: -83.551
flat angles P-C4'-P energy: -58.693
tors. eta vs tors. theta energy: -118.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1283.378537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.378537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.378537 (E_RNA)
where:
Base-Base interactions energy: -873.490
where: short stacking energy: -374.019
Base-Backbone interact. energy: -3.700
local terms energy: -406.188502
where:
bonds (distance) C4'-P energy: -75.395
bonds (distance) P-C4' energy: -63.548
flat angles C4'-P-C4' energy: -91.036
flat angles P-C4'-P energy: -58.427
tors. eta vs tors. theta energy: -117.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1205.407553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.407553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.407553 (E_RNA)
where:
Base-Base interactions energy: -833.426
where: short stacking energy: -327.217
Base-Backbone interact. energy: 0.075
local terms energy: -372.056339
where:
bonds (distance) C4'-P energy: -73.733
bonds (distance) P-C4' energy: -71.534
flat angles C4'-P-C4' energy: -75.622
flat angles P-C4'-P energy: -60.029
tors. eta vs tors. theta energy: -91.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1162.879077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.879077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.879077 (E_RNA)
where:
Base-Base interactions energy: -762.278
where: short stacking energy: -303.309
Base-Backbone interact. energy: -1.487
local terms energy: -399.113842
where:
bonds (distance) C4'-P energy: -74.552
bonds (distance) P-C4' energy: -78.110
flat angles C4'-P-C4' energy: -88.057
flat angles P-C4'-P energy: -68.584
tors. eta vs tors. theta energy: -89.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -998.929115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.929115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.929115 (E_RNA)
where:
Base-Base interactions energy: -650.259
where: short stacking energy: -276.851
Base-Backbone interact. energy: -0.575
local terms energy: -348.095040
where:
bonds (distance) C4'-P energy: -72.637
bonds (distance) P-C4' energy: -66.753
flat angles C4'-P-C4' energy: -76.875
flat angles P-C4'-P energy: -53.323
tors. eta vs tors. theta energy: -78.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -870.206144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.206144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.206144 (E_RNA)
where:
Base-Base interactions energy: -552.207
where: short stacking energy: -269.254
Base-Backbone interact. energy: -1.615
local terms energy: -316.383856
where:
bonds (distance) C4'-P energy: -69.873
bonds (distance) P-C4' energy: -74.367
flat angles C4'-P-C4' energy: -66.039
flat angles P-C4'-P energy: -44.050
tors. eta vs tors. theta energy: -62.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -568.291386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.291386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.291386 (E_RNA)
where:
Base-Base interactions energy: -281.781
where: short stacking energy: -156.496
Base-Backbone interact. energy: 1.001
local terms energy: -287.511758
where:
bonds (distance) C4'-P energy: -63.396
bonds (distance) P-C4' energy: -73.168
flat angles C4'-P-C4' energy: -74.607
flat angles P-C4'-P energy: -41.457
tors. eta vs tors. theta energy: -34.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -328.453143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.453143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.453143 (E_RNA)
where:
Base-Base interactions energy: -123.396
where: short stacking energy: -99.902
Base-Backbone interact. energy: -0.926
local terms energy: -204.131408
where:
bonds (distance) C4'-P energy: -67.298
bonds (distance) P-C4' energy: -69.474
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -32.848
tors. eta vs tors. theta energy: 4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -308.904393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.904393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.904393 (E_RNA)
where:
Base-Base interactions energy: -112.047
where: short stacking energy: -102.845
Base-Backbone interact. energy: 0.781
local terms energy: -197.638204
where:
bonds (distance) C4'-P energy: -63.350
bonds (distance) P-C4' energy: -52.260
flat angles C4'-P-C4' energy: -55.887
flat angles P-C4'-P energy: -40.370
tors. eta vs tors. theta energy: 14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1457.263675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.263675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.263675 (E_RNA)
where:
Base-Base interactions energy: -1010.443
where: short stacking energy: -433.212
Base-Backbone interact. energy: -1.687
local terms energy: -445.133727
where:
bonds (distance) C4'-P energy: -78.367
bonds (distance) P-C4' energy: -86.811
flat angles C4'-P-C4' energy: -88.056
flat angles P-C4'-P energy: -60.309
tors. eta vs tors. theta energy: -131.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1324.792640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.792640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.792640 (E_RNA)
where:
Base-Base interactions energy: -914.199
where: short stacking energy: -389.055
Base-Backbone interact. energy: -0.896
local terms energy: -409.697958
where:
bonds (distance) C4'-P energy: -77.828
bonds (distance) P-C4' energy: -75.073
flat angles C4'-P-C4' energy: -88.802
flat angles P-C4'-P energy: -54.128
tors. eta vs tors. theta energy: -113.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1269.252778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.252778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.252778 (E_RNA)
where:
Base-Base interactions energy: -877.104
where: short stacking energy: -380.106
Base-Backbone interact. energy: 0.877
local terms energy: -393.026386
where:
bonds (distance) C4'-P energy: -79.938
bonds (distance) P-C4' energy: -65.981
flat angles C4'-P-C4' energy: -78.919
flat angles P-C4'-P energy: -45.741
tors. eta vs tors. theta energy: -122.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1223.335425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.335425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.335425 (E_RNA)
where:
Base-Base interactions energy: -860.404
where: short stacking energy: -338.011
Base-Backbone interact. energy: -1.842
local terms energy: -361.089725
where:
bonds (distance) C4'-P energy: -68.802
bonds (distance) P-C4' energy: -79.473
flat angles C4'-P-C4' energy: -75.656
flat angles P-C4'-P energy: -47.900
tors. eta vs tors. theta energy: -89.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1161.424564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.424564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.424564 (E_RNA)
where:
Base-Base interactions energy: -794.476
where: short stacking energy: -327.370
Base-Backbone interact. energy: 0.989
local terms energy: -367.937490
where:
bonds (distance) C4'-P energy: -65.754
bonds (distance) P-C4' energy: -70.423
flat angles C4'-P-C4' energy: -77.913
flat angles P-C4'-P energy: -53.592
tors. eta vs tors. theta energy: -100.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1001.806543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.806543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.806543 (E_RNA)
where:
Base-Base interactions energy: -653.011
where: short stacking energy: -288.947
Base-Backbone interact. energy: 0.591
local terms energy: -349.386980
where:
bonds (distance) C4'-P energy: -68.724
bonds (distance) P-C4' energy: -65.771
flat angles C4'-P-C4' energy: -74.597
flat angles P-C4'-P energy: -55.329
tors. eta vs tors. theta energy: -84.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -809.311920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.311920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.311920 (E_RNA)
where:
Base-Base interactions energy: -505.413
where: short stacking energy: -227.378
Base-Backbone interact. energy: -1.468
local terms energy: -302.431136
where:
bonds (distance) C4'-P energy: -65.067
bonds (distance) P-C4' energy: -69.916
flat angles C4'-P-C4' energy: -64.411
flat angles P-C4'-P energy: -46.145
tors. eta vs tors. theta energy: -56.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -537.109955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.109955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.109955 (E_RNA)
where:
Base-Base interactions energy: -267.641
where: short stacking energy: -148.407
Base-Backbone interact. energy: -1.934
local terms energy: -267.535723
where:
bonds (distance) C4'-P energy: -82.680
bonds (distance) P-C4' energy: -84.476
flat angles C4'-P-C4' energy: -59.188
flat angles P-C4'-P energy: -31.573
tors. eta vs tors. theta energy: -9.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -336.985154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.985154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.985154 (E_RNA)
where:
Base-Base interactions energy: -117.290
where: short stacking energy: -96.585
Base-Backbone interact. energy: -0.865
local terms energy: -218.829679
where:
bonds (distance) C4'-P energy: -55.675
bonds (distance) P-C4' energy: -74.884
flat angles C4'-P-C4' energy: -58.943
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: 9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -321.722760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.722760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.722760 (E_RNA)
where:
Base-Base interactions energy: -115.214
where: short stacking energy: -106.491
Base-Backbone interact. energy: -2.119
local terms energy: -204.390298
where:
bonds (distance) C4'-P energy: -75.084
bonds (distance) P-C4' energy: -57.122
flat angles C4'-P-C4' energy: -53.786
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: 5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1424.924022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.924022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.924022 (E_RNA)
where:
Base-Base interactions energy: -984.973
where: short stacking energy: -416.003
Base-Backbone interact. energy: -0.120
local terms energy: -439.830937
where:
bonds (distance) C4'-P energy: -78.067
bonds (distance) P-C4' energy: -72.978
flat angles C4'-P-C4' energy: -93.093
flat angles P-C4'-P energy: -63.309
tors. eta vs tors. theta energy: -132.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1356.431052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.431052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.431052 (E_RNA)
where:
Base-Base interactions energy: -936.106
where: short stacking energy: -375.231
Base-Backbone interact. energy: 0.911
local terms energy: -421.236607
where:
bonds (distance) C4'-P energy: -69.586
bonds (distance) P-C4' energy: -90.544
flat angles C4'-P-C4' energy: -82.863
flat angles P-C4'-P energy: -59.288
tors. eta vs tors. theta energy: -118.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1271.774291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.774291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.774291 (E_RNA)
where:
Base-Base interactions energy: -877.220
where: short stacking energy: -363.936
Base-Backbone interact. energy: 0.597
local terms energy: -395.150791
where:
bonds (distance) C4'-P energy: -66.094
bonds (distance) P-C4' energy: -72.530
flat angles C4'-P-C4' energy: -90.321
flat angles P-C4'-P energy: -46.406
tors. eta vs tors. theta energy: -119.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1235.937937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.937937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.937937 (E_RNA)
where:
Base-Base interactions energy: -869.201
where: short stacking energy: -355.985
Base-Backbone interact. energy: -0.148
local terms energy: -366.588904
where:
bonds (distance) C4'-P energy: -58.242
bonds (distance) P-C4' energy: -81.162
flat angles C4'-P-C4' energy: -75.707
flat angles P-C4'-P energy: -51.726
tors. eta vs tors. theta energy: -99.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1182.894241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.894241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.894241 (E_RNA)
where:
Base-Base interactions energy: -812.634
where: short stacking energy: -337.035
Base-Backbone interact. energy: -2.475
local terms energy: -367.785392
where:
bonds (distance) C4'-P energy: -65.389
bonds (distance) P-C4' energy: -70.329
flat angles C4'-P-C4' energy: -83.049
flat angles P-C4'-P energy: -52.351
tors. eta vs tors. theta energy: -96.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -984.147106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.147106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.147106 (E_RNA)
where:
Base-Base interactions energy: -627.973
where: short stacking energy: -270.482
Base-Backbone interact. energy: -3.868
local terms energy: -352.306151
where:
bonds (distance) C4'-P energy: -75.509
bonds (distance) P-C4' energy: -70.570
flat angles C4'-P-C4' energy: -79.240
flat angles P-C4'-P energy: -53.931
tors. eta vs tors. theta energy: -73.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -840.243805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.243805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.243805 (E_RNA)
where:
Base-Base interactions energy: -528.712
where: short stacking energy: -233.160
Base-Backbone interact. energy: -0.155
local terms energy: -311.377172
where:
bonds (distance) C4'-P energy: -67.405
bonds (distance) P-C4' energy: -67.069
flat angles C4'-P-C4' energy: -78.223
flat angles P-C4'-P energy: -49.400
tors. eta vs tors. theta energy: -49.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -499.019044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.019044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.019044 (E_RNA)
where:
Base-Base interactions energy: -237.651
where: short stacking energy: -146.442
Base-Backbone interact. energy: -0.230
local terms energy: -261.138252
where:
bonds (distance) C4'-P energy: -62.280
bonds (distance) P-C4' energy: -74.701
flat angles C4'-P-C4' energy: -70.892
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -9.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -356.076643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.076643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.076643 (E_RNA)
where:
Base-Base interactions energy: -157.197
where: short stacking energy: -118.617
Base-Backbone interact. energy: 1.901
local terms energy: -200.779991
where:
bonds (distance) C4'-P energy: -48.198
bonds (distance) P-C4' energy: -61.019
flat angles C4'-P-C4' energy: -58.630
flat angles P-C4'-P energy: -35.356
tors. eta vs tors. theta energy: 2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -327.132905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.132905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.132905 (E_RNA)
where:
Base-Base interactions energy: -154.853
where: short stacking energy: -80.858
Base-Backbone interact. energy: 0.755
local terms energy: -173.035259
where:
bonds (distance) C4'-P energy: -53.212
bonds (distance) P-C4' energy: -68.079
flat angles C4'-P-C4' energy: -48.577
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: 17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1428.413509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.413509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.413509 (E_RNA)
where:
Base-Base interactions energy: -982.384
where: short stacking energy: -411.962
Base-Backbone interact. energy: -1.722
local terms energy: -444.307656
where:
bonds (distance) C4'-P energy: -80.502
bonds (distance) P-C4' energy: -69.082
flat angles C4'-P-C4' energy: -96.556
flat angles P-C4'-P energy: -63.208
tors. eta vs tors. theta energy: -134.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1331.764786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.764786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.764786 (E_RNA)
where:
Base-Base interactions energy: -901.000
where: short stacking energy: -380.436
Base-Backbone interact. energy: -1.431
local terms energy: -429.334480
where:
bonds (distance) C4'-P energy: -72.876
bonds (distance) P-C4' energy: -85.217
flat angles C4'-P-C4' energy: -91.818
flat angles P-C4'-P energy: -55.062
tors. eta vs tors. theta energy: -124.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1301.775101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.775101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.775101 (E_RNA)
where:
Base-Base interactions energy: -908.746
where: short stacking energy: -373.058
Base-Backbone interact. energy: -0.276
local terms energy: -392.753031
where:
bonds (distance) C4'-P energy: -72.182
bonds (distance) P-C4' energy: -67.477
flat angles C4'-P-C4' energy: -88.890
flat angles P-C4'-P energy: -48.844
tors. eta vs tors. theta energy: -115.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1229.182295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.182295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.182295 (E_RNA)
where:
Base-Base interactions energy: -838.361
where: short stacking energy: -338.028
Base-Backbone interact. energy: -2.142
local terms energy: -388.678596
where:
bonds (distance) C4'-P energy: -70.486
bonds (distance) P-C4' energy: -86.267
flat angles C4'-P-C4' energy: -72.235
flat angles P-C4'-P energy: -58.560
tors. eta vs tors. theta energy: -101.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1135.359558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.359558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.359558 (E_RNA)
where:
Base-Base interactions energy: -779.058
where: short stacking energy: -335.346
Base-Backbone interact. energy: -1.492
local terms energy: -354.809719
where:
bonds (distance) C4'-P energy: -62.179
bonds (distance) P-C4' energy: -60.998
flat angles C4'-P-C4' energy: -76.864
flat angles P-C4'-P energy: -53.264
tors. eta vs tors. theta energy: -101.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -973.689733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.689733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.689733 (E_RNA)
where:
Base-Base interactions energy: -620.517
where: short stacking energy: -273.887
Base-Backbone interact. energy: -0.203
local terms energy: -352.969806
where:
bonds (distance) C4'-P energy: -78.667
bonds (distance) P-C4' energy: -62.335
flat angles C4'-P-C4' energy: -75.955
flat angles P-C4'-P energy: -61.671
tors. eta vs tors. theta energy: -74.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -830.118004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.118004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.118004 (E_RNA)
where:
Base-Base interactions energy: -509.768
where: short stacking energy: -234.007
Base-Backbone interact. energy: -1.694
local terms energy: -318.655797
where:
bonds (distance) C4'-P energy: -62.950
bonds (distance) P-C4' energy: -74.626
flat angles C4'-P-C4' energy: -71.057
flat angles P-C4'-P energy: -47.121
tors. eta vs tors. theta energy: -62.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -518.802067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.802067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.802067 (E_RNA)
where:
Base-Base interactions energy: -249.911
where: short stacking energy: -145.991
Base-Backbone interact. energy: -2.323
local terms energy: -266.568360
where:
bonds (distance) C4'-P energy: -68.593
bonds (distance) P-C4' energy: -70.499
flat angles C4'-P-C4' energy: -78.190
flat angles P-C4'-P energy: -36.494
tors. eta vs tors. theta energy: -12.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -385.358762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.358762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.358762 (E_RNA)
where:
Base-Base interactions energy: -162.688
where: short stacking energy: -127.183
Base-Backbone interact. energy: 3.433
local terms energy: -226.103068
where:
bonds (distance) C4'-P energy: -59.242
bonds (distance) P-C4' energy: -55.481
flat angles C4'-P-C4' energy: -58.081
flat angles P-C4'-P energy: -43.059
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -320.659866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.659866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.659866 (E_RNA)
where:
Base-Base interactions energy: -121.753
where: short stacking energy: -104.558
Base-Backbone interact. energy: 2.096
local terms energy: -201.003034
where:
bonds (distance) C4'-P energy: -62.033
bonds (distance) P-C4' energy: -71.798
flat angles C4'-P-C4' energy: -44.043
flat angles P-C4'-P energy: -35.191
tors. eta vs tors. theta energy: 12.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1428.239572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.239572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.239572 (E_RNA)
where:
Base-Base interactions energy: -980.493
where: short stacking energy: -414.889
Base-Backbone interact. energy: -0.647
local terms energy: -447.100062
where:
bonds (distance) C4'-P energy: -83.656
bonds (distance) P-C4' energy: -82.297
flat angles C4'-P-C4' energy: -89.094
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: -136.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1366.866414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.866414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.866414 (E_RNA)
where:
Base-Base interactions energy: -946.649
where: short stacking energy: -397.543
Base-Backbone interact. energy: 1.876
local terms energy: -422.093161
where:
bonds (distance) C4'-P energy: -66.307
bonds (distance) P-C4' energy: -71.830
flat angles C4'-P-C4' energy: -91.487
flat angles P-C4'-P energy: -71.720
tors. eta vs tors. theta energy: -120.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1307.829826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.829826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.829826 (E_RNA)
where:
Base-Base interactions energy: -868.414
where: short stacking energy: -386.140
Base-Backbone interact. energy: -3.319
local terms energy: -436.097352
where:
bonds (distance) C4'-P energy: -73.017
bonds (distance) P-C4' energy: -82.133
flat angles C4'-P-C4' energy: -93.252
flat angles P-C4'-P energy: -62.950
tors. eta vs tors. theta energy: -124.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1219.091353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.091353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.091353 (E_RNA)
where:
Base-Base interactions energy: -850.829
where: short stacking energy: -343.751
Base-Backbone interact. energy: -1.869
local terms energy: -366.393336
where:
bonds (distance) C4'-P energy: -68.970
bonds (distance) P-C4' energy: -77.249
flat angles C4'-P-C4' energy: -80.242
flat angles P-C4'-P energy: -55.385
tors. eta vs tors. theta energy: -84.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1131.885681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.885681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.885681 (E_RNA)
where:
Base-Base interactions energy: -766.984
where: short stacking energy: -330.053
Base-Backbone interact. energy: 0.539
local terms energy: -365.440922
where:
bonds (distance) C4'-P energy: -69.029
bonds (distance) P-C4' energy: -67.118
flat angles C4'-P-C4' energy: -81.913
flat angles P-C4'-P energy: -45.434
tors. eta vs tors. theta energy: -101.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -826.137722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.137722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.137722 (E_RNA)
where:
Base-Base interactions energy: -498.097
where: short stacking energy: -226.516
Base-Backbone interact. energy: -0.918
local terms energy: -327.123358
where:
bonds (distance) C4'-P energy: -77.349
bonds (distance) P-C4' energy: -67.556
flat angles C4'-P-C4' energy: -77.402
flat angles P-C4'-P energy: -48.630
tors. eta vs tors. theta energy: -56.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -882.118038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.118038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.118038 (E_RNA)
where:
Base-Base interactions energy: -573.331
where: short stacking energy: -252.762
Base-Backbone interact. energy: 3.012
local terms energy: -311.799196
where:
bonds (distance) C4'-P energy: -70.764
bonds (distance) P-C4' energy: -70.427
flat angles C4'-P-C4' energy: -68.283
flat angles P-C4'-P energy: -30.596
tors. eta vs tors. theta energy: -71.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -482.458048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.458048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.458048 (E_RNA)
where:
Base-Base interactions energy: -219.604
where: short stacking energy: -126.363
Base-Backbone interact. energy: 0.266
local terms energy: -263.119855
where:
bonds (distance) C4'-P energy: -67.077
bonds (distance) P-C4' energy: -70.124
flat angles C4'-P-C4' energy: -79.359
flat angles P-C4'-P energy: -37.868
tors. eta vs tors. theta energy: -8.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -343.405339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.405339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.405339 (E_RNA)
where:
Base-Base interactions energy: -134.961
where: short stacking energy: -108.599
Base-Backbone interact. energy: -0.301
local terms energy: -208.143574
where:
bonds (distance) C4'-P energy: -57.289
bonds (distance) P-C4' energy: -65.061
flat angles C4'-P-C4' energy: -45.353
flat angles P-C4'-P energy: -41.930
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -325.846383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.846383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.846383 (E_RNA)
where:
Base-Base interactions energy: -120.504
where: short stacking energy: -88.317
Base-Backbone interact. energy: 2.382
local terms energy: -207.723985
where:
bonds (distance) C4'-P energy: -59.642
bonds (distance) P-C4' energy: -81.185
flat angles C4'-P-C4' energy: -52.886
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: 18.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1425.984175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.984175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.984175 (E_RNA)
where:
Base-Base interactions energy: -965.640
where: short stacking energy: -420.812
Base-Backbone interact. energy: -0.750
local terms energy: -459.593829
where:
bonds (distance) C4'-P energy: -85.395
bonds (distance) P-C4' energy: -84.665
flat angles C4'-P-C4' energy: -91.319
flat angles P-C4'-P energy: -57.833
tors. eta vs tors. theta energy: -140.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1351.800867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.800867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.800867 (E_RNA)
where:
Base-Base interactions energy: -924.628
where: short stacking energy: -390.990
Base-Backbone interact. energy: 0.886
local terms energy: -428.058422
where:
bonds (distance) C4'-P energy: -74.270
bonds (distance) P-C4' energy: -90.960
flat angles C4'-P-C4' energy: -85.498
flat angles P-C4'-P energy: -59.406
tors. eta vs tors. theta energy: -117.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1287.417537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.417537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.417537 (E_RNA)
where:
Base-Base interactions energy: -866.929
where: short stacking energy: -356.194
Base-Backbone interact. energy: -2.562
local terms energy: -417.925733
where:
bonds (distance) C4'-P energy: -79.361
bonds (distance) P-C4' energy: -87.281
flat angles C4'-P-C4' energy: -77.182
flat angles P-C4'-P energy: -64.014
tors. eta vs tors. theta energy: -110.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1232.750083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.750083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.750083 (E_RNA)
where:
Base-Base interactions energy: -847.123
where: short stacking energy: -336.395
Base-Backbone interact. energy: -1.879
local terms energy: -383.748169
where:
bonds (distance) C4'-P energy: -85.020
bonds (distance) P-C4' energy: -70.785
flat angles C4'-P-C4' energy: -76.181
flat angles P-C4'-P energy: -54.259
tors. eta vs tors. theta energy: -97.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1123.403261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.403261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.403261 (E_RNA)
where:
Base-Base interactions energy: -762.192
where: short stacking energy: -314.651
Base-Backbone interact. energy: -0.453
local terms energy: -360.758880
where:
bonds (distance) C4'-P energy: -70.637
bonds (distance) P-C4' energy: -62.239
flat angles C4'-P-C4' energy: -82.621
flat angles P-C4'-P energy: -63.137
tors. eta vs tors. theta energy: -82.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -873.696772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.696772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.696772 (E_RNA)
where:
Base-Base interactions energy: -528.698
where: short stacking energy: -243.255
Base-Backbone interact. energy: 1.483
local terms energy: -346.482298
where:
bonds (distance) C4'-P energy: -66.381
bonds (distance) P-C4' energy: -71.319
flat angles C4'-P-C4' energy: -84.514
flat angles P-C4'-P energy: -45.783
tors. eta vs tors. theta energy: -78.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -890.049148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.049148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.049148 (E_RNA)
where:
Base-Base interactions energy: -599.938
where: short stacking energy: -242.115
Base-Backbone interact. energy: 0.661
local terms energy: -290.772594
where:
bonds (distance) C4'-P energy: -56.737
bonds (distance) P-C4' energy: -60.696
flat angles C4'-P-C4' energy: -73.823
flat angles P-C4'-P energy: -45.293
tors. eta vs tors. theta energy: -54.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -468.758640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.758640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.758640 (E_RNA)
where:
Base-Base interactions energy: -232.799
where: short stacking energy: -132.118
Base-Backbone interact. energy: 1.972
local terms energy: -237.931954
where:
bonds (distance) C4'-P energy: -74.375
bonds (distance) P-C4' energy: -56.934
flat angles C4'-P-C4' energy: -69.706
flat angles P-C4'-P energy: -33.445
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -349.423394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.423394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.423394 (E_RNA)
where:
Base-Base interactions energy: -127.675
where: short stacking energy: -95.023
Base-Backbone interact. energy: 0.517
local terms energy: -222.264977
where:
bonds (distance) C4'-P energy: -72.066
bonds (distance) P-C4' energy: -76.094
flat angles C4'-P-C4' energy: -50.812
flat angles P-C4'-P energy: -31.496
tors. eta vs tors. theta energy: 8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -297.300095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.300095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.300095 (E_RNA)
where:
Base-Base interactions energy: -102.467
where: short stacking energy: -73.782
Base-Backbone interact. energy: 0.535
local terms energy: -195.368068
where:
bonds (distance) C4'-P energy: -50.432
bonds (distance) P-C4' energy: -71.768
flat angles C4'-P-C4' energy: -58.590
flat angles P-C4'-P energy: -35.854
tors. eta vs tors. theta energy: 21.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1435.281231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.281231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.281231 (E_RNA)
where:
Base-Base interactions energy: -974.650
where: short stacking energy: -415.562
Base-Backbone interact. energy: -0.299
local terms energy: -460.332610
where:
bonds (distance) C4'-P energy: -78.375
bonds (distance) P-C4' energy: -89.143
flat angles C4'-P-C4' energy: -94.097
flat angles P-C4'-P energy: -64.398
tors. eta vs tors. theta energy: -134.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1344.560008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.560008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.560008 (E_RNA)
where:
Base-Base interactions energy: -913.945
where: short stacking energy: -381.758
Base-Backbone interact. energy: -2.120
local terms energy: -428.495108
where:
bonds (distance) C4'-P energy: -76.632
bonds (distance) P-C4' energy: -79.957
flat angles C4'-P-C4' energy: -85.285
flat angles P-C4'-P energy: -58.142
tors. eta vs tors. theta energy: -128.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1281.536169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.536169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.536169 (E_RNA)
where:
Base-Base interactions energy: -877.084
where: short stacking energy: -369.181
Base-Backbone interact. energy: -0.948
local terms energy: -403.504509
where:
bonds (distance) C4'-P energy: -69.218
bonds (distance) P-C4' energy: -75.444
flat angles C4'-P-C4' energy: -90.659
flat angles P-C4'-P energy: -50.092
tors. eta vs tors. theta energy: -118.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1241.156887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.156887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.156887 (E_RNA)
where:
Base-Base interactions energy: -869.309
where: short stacking energy: -345.203
Base-Backbone interact. energy: 1.354
local terms energy: -373.201911
where:
bonds (distance) C4'-P energy: -85.748
bonds (distance) P-C4' energy: -63.067
flat angles C4'-P-C4' energy: -82.333
flat angles P-C4'-P energy: -42.223
tors. eta vs tors. theta energy: -99.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1137.946900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.946900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.946900 (E_RNA)
where:
Base-Base interactions energy: -760.435
where: short stacking energy: -327.077
Base-Backbone interact. energy: -0.976
local terms energy: -376.535673
where:
bonds (distance) C4'-P energy: -78.836
bonds (distance) P-C4' energy: -67.454
flat angles C4'-P-C4' energy: -71.857
flat angles P-C4'-P energy: -59.949
tors. eta vs tors. theta energy: -98.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -972.890724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.890724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.890724 (E_RNA)
where:
Base-Base interactions energy: -640.496
where: short stacking energy: -281.685
Base-Backbone interact. energy: -2.380
local terms energy: -330.015123
where:
bonds (distance) C4'-P energy: -62.694
bonds (distance) P-C4' energy: -58.939
flat angles C4'-P-C4' energy: -71.057
flat angles P-C4'-P energy: -51.239
tors. eta vs tors. theta energy: -86.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -872.922277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.922277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.922277 (E_RNA)
where:
Base-Base interactions energy: -537.930
where: short stacking energy: -238.871
Base-Backbone interact. energy: -0.770
local terms energy: -334.222866
where:
bonds (distance) C4'-P energy: -72.333
bonds (distance) P-C4' energy: -70.146
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -46.224
tors. eta vs tors. theta energy: -75.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -478.408398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.408398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.408398 (E_RNA)
where:
Base-Base interactions energy: -229.881
where: short stacking energy: -146.386
Base-Backbone interact. energy: -0.887
local terms energy: -247.640171
where:
bonds (distance) C4'-P energy: -58.980
bonds (distance) P-C4' energy: -67.863
flat angles C4'-P-C4' energy: -68.300
flat angles P-C4'-P energy: -32.007
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -344.742574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.742574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.742574 (E_RNA)
where:
Base-Base interactions energy: -137.130
where: short stacking energy: -69.406
Base-Backbone interact. energy: -0.669
local terms energy: -206.943503
where:
bonds (distance) C4'-P energy: -76.010
bonds (distance) P-C4' energy: -69.218
flat angles C4'-P-C4' energy: -49.843
flat angles P-C4'-P energy: -33.120
tors. eta vs tors. theta energy: 21.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -328.838322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.838322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.838322 (E_RNA)
where:
Base-Base interactions energy: -125.069
where: short stacking energy: -90.195
Base-Backbone interact. energy: -3.122
local terms energy: -200.647207
where:
bonds (distance) C4'-P energy: -64.817
bonds (distance) P-C4' energy: -64.256
flat angles C4'-P-C4' energy: -44.900
flat angles P-C4'-P energy: -41.381
tors. eta vs tors. theta energy: 14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1449.487498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.487498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.487498 (E_RNA)
where:
Base-Base interactions energy: -982.510
where: short stacking energy: -418.731
Base-Backbone interact. energy: -1.946
local terms energy: -465.031515
where:
bonds (distance) C4'-P energy: -85.983
bonds (distance) P-C4' energy: -83.843
flat angles C4'-P-C4' energy: -98.256
flat angles P-C4'-P energy: -62.856
tors. eta vs tors. theta energy: -134.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1366.262794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.262794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.262794 (E_RNA)
where:
Base-Base interactions energy: -935.480
where: short stacking energy: -396.310
Base-Backbone interact. energy: -0.545
local terms energy: -430.237342
where:
bonds (distance) C4'-P energy: -79.717
bonds (distance) P-C4' energy: -73.302
flat angles C4'-P-C4' energy: -94.813
flat angles P-C4'-P energy: -57.581
tors. eta vs tors. theta energy: -124.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1284.508900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.508900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.508900 (E_RNA)
where:
Base-Base interactions energy: -902.294
where: short stacking energy: -382.232
Base-Backbone interact. energy: -1.859
local terms energy: -380.355937
where:
bonds (distance) C4'-P energy: -64.412
bonds (distance) P-C4' energy: -72.394
flat angles C4'-P-C4' energy: -83.274
flat angles P-C4'-P energy: -44.868
tors. eta vs tors. theta energy: -115.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1226.485427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.485427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.485427 (E_RNA)
where:
Base-Base interactions energy: -846.460
where: short stacking energy: -331.039
Base-Backbone interact. energy: 0.818
local terms energy: -380.843633
where:
bonds (distance) C4'-P energy: -61.199
bonds (distance) P-C4' energy: -72.800
flat angles C4'-P-C4' energy: -84.920
flat angles P-C4'-P energy: -57.307
tors. eta vs tors. theta energy: -104.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1153.737117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.737117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.737117 (E_RNA)
where:
Base-Base interactions energy: -776.236
where: short stacking energy: -338.837
Base-Backbone interact. energy: -1.549
local terms energy: -375.951836
where:
bonds (distance) C4'-P energy: -69.298
bonds (distance) P-C4' energy: -55.338
flat angles C4'-P-C4' energy: -87.194
flat angles P-C4'-P energy: -59.988
tors. eta vs tors. theta energy: -104.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -922.946809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.946809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.946809 (E_RNA)
where:
Base-Base interactions energy: -589.102
where: short stacking energy: -268.131
Base-Backbone interact. energy: -2.130
local terms energy: -331.715076
where:
bonds (distance) C4'-P energy: -76.871
bonds (distance) P-C4' energy: -66.060
flat angles C4'-P-C4' energy: -72.913
flat angles P-C4'-P energy: -52.999
tors. eta vs tors. theta energy: -62.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -886.629545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.629545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.629545 (E_RNA)
where:
Base-Base interactions energy: -540.374
where: short stacking energy: -249.735
Base-Backbone interact. energy: -1.180
local terms energy: -345.075741
where:
bonds (distance) C4'-P energy: -77.489
bonds (distance) P-C4' energy: -79.348
flat angles C4'-P-C4' energy: -79.445
flat angles P-C4'-P energy: -44.286
tors. eta vs tors. theta energy: -64.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -450.406743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.406743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.406743 (E_RNA)
where:
Base-Base interactions energy: -193.114
where: short stacking energy: -109.411
Base-Backbone interact. energy: -0.292
local terms energy: -257.001438
where:
bonds (distance) C4'-P energy: -65.743
bonds (distance) P-C4' energy: -76.004
flat angles C4'-P-C4' energy: -76.947
flat angles P-C4'-P energy: -33.747
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -351.731286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.731286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.731286 (E_RNA)
where:
Base-Base interactions energy: -105.439
where: short stacking energy: -85.968
Base-Backbone interact. energy: 0.069
local terms energy: -246.361370
where:
bonds (distance) C4'-P energy: -76.106
bonds (distance) P-C4' energy: -73.606
flat angles C4'-P-C4' energy: -69.823
flat angles P-C4'-P energy: -38.312
tors. eta vs tors. theta energy: 11.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -310.358245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.358245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.358245 (E_RNA)
where:
Base-Base interactions energy: -139.694
where: short stacking energy: -86.368
Base-Backbone interact. energy: 1.870
local terms energy: -172.534590
where:
bonds (distance) C4'-P energy: -67.274
bonds (distance) P-C4' energy: -64.325
flat angles C4'-P-C4' energy: -41.321
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: 25.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1426.098200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.098200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.098200 (E_RNA)
where:
Base-Base interactions energy: -975.227
where: short stacking energy: -430.403
Base-Backbone interact. energy: 0.166
local terms energy: -451.037381
where:
bonds (distance) C4'-P energy: -83.127
bonds (distance) P-C4' energy: -78.213
flat angles C4'-P-C4' energy: -95.857
flat angles P-C4'-P energy: -61.457
tors. eta vs tors. theta energy: -132.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1357.697963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.697963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.697963 (E_RNA)
where:
Base-Base interactions energy: -938.619
where: short stacking energy: -366.844
Base-Backbone interact. energy: -1.280
local terms energy: -417.798123
where:
bonds (distance) C4'-P energy: -78.720
bonds (distance) P-C4' energy: -80.593
flat angles C4'-P-C4' energy: -89.183
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: -117.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1281.245316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.245316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.245316 (E_RNA)
where:
Base-Base interactions energy: -882.840
where: short stacking energy: -361.726
Base-Backbone interact. energy: -3.136
local terms energy: -395.269640
where:
bonds (distance) C4'-P energy: -67.007
bonds (distance) P-C4' energy: -69.978
flat angles C4'-P-C4' energy: -91.050
flat angles P-C4'-P energy: -57.596
tors. eta vs tors. theta energy: -109.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1205.559500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.559500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.559500 (E_RNA)
where:
Base-Base interactions energy: -834.151
where: short stacking energy: -321.793
Base-Backbone interact. energy: -0.158
local terms energy: -371.250268
where:
bonds (distance) C4'-P energy: -86.056
bonds (distance) P-C4' energy: -60.894
flat angles C4'-P-C4' energy: -71.412
flat angles P-C4'-P energy: -62.115
tors. eta vs tors. theta energy: -90.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1181.066178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.066178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.066178 (E_RNA)
where:
Base-Base interactions energy: -803.606
where: short stacking energy: -343.835
Base-Backbone interact. energy: -2.194
local terms energy: -375.266629
where:
bonds (distance) C4'-P energy: -79.094
bonds (distance) P-C4' energy: -74.498
flat angles C4'-P-C4' energy: -79.251
flat angles P-C4'-P energy: -40.808
tors. eta vs tors. theta energy: -101.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -928.539773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.539773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.539773 (E_RNA)
where:
Base-Base interactions energy: -593.525
where: short stacking energy: -273.228
Base-Backbone interact. energy: -0.611
local terms energy: -334.404021
where:
bonds (distance) C4'-P energy: -66.044
bonds (distance) P-C4' energy: -77.858
flat angles C4'-P-C4' energy: -80.400
flat angles P-C4'-P energy: -41.496
tors. eta vs tors. theta energy: -68.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -857.063853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.063853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.063853 (E_RNA)
where:
Base-Base interactions energy: -552.509
where: short stacking energy: -239.733
Base-Backbone interact. energy: -2.298
local terms energy: -302.256426
where:
bonds (distance) C4'-P energy: -75.396
bonds (distance) P-C4' energy: -60.299
flat angles C4'-P-C4' energy: -72.654
flat angles P-C4'-P energy: -34.604
tors. eta vs tors. theta energy: -59.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -463.079657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.079657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.079657 (E_RNA)
where:
Base-Base interactions energy: -227.346
where: short stacking energy: -132.915
Base-Backbone interact. energy: -1.933
local terms energy: -233.800311
where:
bonds (distance) C4'-P energy: -60.990
bonds (distance) P-C4' energy: -69.392
flat angles C4'-P-C4' energy: -66.502
flat angles P-C4'-P energy: -44.291
tors. eta vs tors. theta energy: 7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -372.811319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.811319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.811319 (E_RNA)
where:
Base-Base interactions energy: -150.546
where: short stacking energy: -102.553
Base-Backbone interact. energy: -1.806
local terms energy: -220.459367
where:
bonds (distance) C4'-P energy: -65.277
bonds (distance) P-C4' energy: -61.674
flat angles C4'-P-C4' energy: -58.695
flat angles P-C4'-P energy: -39.267
tors. eta vs tors. theta energy: 4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -333.075337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.075337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.075337 (E_RNA)
where:
Base-Base interactions energy: -97.001
where: short stacking energy: -89.825
Base-Backbone interact. energy: -1.178
local terms energy: -234.896269
where:
bonds (distance) C4'-P energy: -62.666
bonds (distance) P-C4' energy: -67.802
flat angles C4'-P-C4' energy: -61.510
flat angles P-C4'-P energy: -32.071
tors. eta vs tors. theta energy: -10.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1425.012662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.012662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.012662 (E_RNA)
where:
Base-Base interactions energy: -994.239
where: short stacking energy: -426.778
Base-Backbone interact. energy: -2.062
local terms energy: -428.712077
where:
bonds (distance) C4'-P energy: -72.508
bonds (distance) P-C4' energy: -79.627
flat angles C4'-P-C4' energy: -86.011
flat angles P-C4'-P energy: -63.705
tors. eta vs tors. theta energy: -126.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1360.280044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.280044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.280044 (E_RNA)
where:
Base-Base interactions energy: -946.977
where: short stacking energy: -377.765
Base-Backbone interact. energy: -1.628
local terms energy: -411.674377
where:
bonds (distance) C4'-P energy: -72.748
bonds (distance) P-C4' energy: -74.361
flat angles C4'-P-C4' energy: -84.896
flat angles P-C4'-P energy: -60.083
tors. eta vs tors. theta energy: -119.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1317.623018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.623018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.623018 (E_RNA)
where:
Base-Base interactions energy: -930.949
where: short stacking energy: -388.795
Base-Backbone interact. energy: 3.561
local terms energy: -390.235371
where:
bonds (distance) C4'-P energy: -70.873
bonds (distance) P-C4' energy: -69.231
flat angles C4'-P-C4' energy: -81.956
flat angles P-C4'-P energy: -48.584
tors. eta vs tors. theta energy: -119.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1187.040455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.040455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.040455 (E_RNA)
where:
Base-Base interactions energy: -816.127
where: short stacking energy: -331.619
Base-Backbone interact. energy: -1.859
local terms energy: -369.054248
where:
bonds (distance) C4'-P energy: -67.286
bonds (distance) P-C4' energy: -78.827
flat angles C4'-P-C4' energy: -82.680
flat angles P-C4'-P energy: -55.415
tors. eta vs tors. theta energy: -84.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1137.616845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.616845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.616845 (E_RNA)
where:
Base-Base interactions energy: -771.839
where: short stacking energy: -319.462
Base-Backbone interact. energy: -0.991
local terms energy: -364.787334
where:
bonds (distance) C4'-P energy: -67.487
bonds (distance) P-C4' energy: -66.603
flat angles C4'-P-C4' energy: -81.171
flat angles P-C4'-P energy: -46.847
tors. eta vs tors. theta energy: -102.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -911.048092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.048092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.048092 (E_RNA)
where:
Base-Base interactions energy: -607.664
where: short stacking energy: -262.776
Base-Backbone interact. energy: -1.827
local terms energy: -301.557220
where:
bonds (distance) C4'-P energy: -64.182
bonds (distance) P-C4' energy: -66.480
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -53.241
tors. eta vs tors. theta energy: -54.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -874.090875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.090875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.090875 (E_RNA)
where:
Base-Base interactions energy: -569.554
where: short stacking energy: -246.513
Base-Backbone interact. energy: -2.279
local terms energy: -302.257427
where:
bonds (distance) C4'-P energy: -61.749
bonds (distance) P-C4' energy: -70.171
flat angles C4'-P-C4' energy: -71.198
flat angles P-C4'-P energy: -44.331
tors. eta vs tors. theta energy: -54.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -539.855726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.855726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.855726 (E_RNA)
where:
Base-Base interactions energy: -289.631
where: short stacking energy: -153.508
Base-Backbone interact. energy: 3.311
local terms energy: -253.535155
where:
bonds (distance) C4'-P energy: -66.776
bonds (distance) P-C4' energy: -70.753
flat angles C4'-P-C4' energy: -62.017
flat angles P-C4'-P energy: -33.030
tors. eta vs tors. theta energy: -20.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -358.196973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.196973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.196973 (E_RNA)
where:
Base-Base interactions energy: -131.828
where: short stacking energy: -108.392
Base-Backbone interact. energy: 1.465
local terms energy: -227.833425
where:
bonds (distance) C4'-P energy: -72.888
bonds (distance) P-C4' energy: -82.483
flat angles C4'-P-C4' energy: -53.127
flat angles P-C4'-P energy: -22.437
tors. eta vs tors. theta energy: 3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -373.808608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.808608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.808608 (E_RNA)
where:
Base-Base interactions energy: -165.025
where: short stacking energy: -109.999
Base-Backbone interact. energy: -0.576
local terms energy: -208.207587
where:
bonds (distance) C4'-P energy: -67.459
bonds (distance) P-C4' energy: -65.794
flat angles C4'-P-C4' energy: -53.559
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: 3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1423.863071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.863071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.863071 (E_RNA)
where:
Base-Base interactions energy: -975.060
where: short stacking energy: -406.604
Base-Backbone interact. energy: -1.483
local terms energy: -447.320237
where:
bonds (distance) C4'-P energy: -86.293
bonds (distance) P-C4' energy: -77.967
flat angles C4'-P-C4' energy: -91.701
flat angles P-C4'-P energy: -64.336
tors. eta vs tors. theta energy: -127.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1340.011810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.011810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.011810 (E_RNA)
where:
Base-Base interactions energy: -914.105
where: short stacking energy: -380.378
Base-Backbone interact. energy: -1.494
local terms energy: -424.412767
where:
bonds (distance) C4'-P energy: -79.596
bonds (distance) P-C4' energy: -74.198
flat angles C4'-P-C4' energy: -85.775
flat angles P-C4'-P energy: -64.768
tors. eta vs tors. theta energy: -120.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1318.279275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.279275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.279275 (E_RNA)
where:
Base-Base interactions energy: -900.244
where: short stacking energy: -383.759
Base-Backbone interact. energy: -1.820
local terms energy: -416.215507
where:
bonds (distance) C4'-P energy: -75.235
bonds (distance) P-C4' energy: -78.226
flat angles C4'-P-C4' energy: -79.690
flat angles P-C4'-P energy: -62.997
tors. eta vs tors. theta energy: -120.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1216.695758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.695758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.695758 (E_RNA)
where:
Base-Base interactions energy: -844.376
where: short stacking energy: -350.688
Base-Backbone interact. energy: -0.351
local terms energy: -371.968674
where:
bonds (distance) C4'-P energy: -67.340
bonds (distance) P-C4' energy: -71.125
flat angles C4'-P-C4' energy: -81.983
flat angles P-C4'-P energy: -48.762
tors. eta vs tors. theta energy: -102.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1137.938099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.938099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.938099 (E_RNA)
where:
Base-Base interactions energy: -778.159
where: short stacking energy: -346.029
Base-Backbone interact. energy: -1.147
local terms energy: -358.632195
where:
bonds (distance) C4'-P energy: -59.125
bonds (distance) P-C4' energy: -67.611
flat angles C4'-P-C4' energy: -86.253
flat angles P-C4'-P energy: -46.483
tors. eta vs tors. theta energy: -99.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -917.552449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.552449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.552449 (E_RNA)
where:
Base-Base interactions energy: -584.681
where: short stacking energy: -281.927
Base-Backbone interact. energy: 0.537
local terms energy: -333.408413
where:
bonds (distance) C4'-P energy: -60.000
bonds (distance) P-C4' energy: -66.833
flat angles C4'-P-C4' energy: -67.211
flat angles P-C4'-P energy: -54.613
tors. eta vs tors. theta energy: -84.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -857.841027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.841027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.841027 (E_RNA)
where:
Base-Base interactions energy: -553.153
where: short stacking energy: -247.025
Base-Backbone interact. energy: -2.135
local terms energy: -302.552919
where:
bonds (distance) C4'-P energy: -58.419
bonds (distance) P-C4' energy: -65.543
flat angles C4'-P-C4' energy: -63.363
flat angles P-C4'-P energy: -52.837
tors. eta vs tors. theta energy: -62.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -530.429859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.429859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.429859 (E_RNA)
where:
Base-Base interactions energy: -276.949
where: short stacking energy: -138.223
Base-Backbone interact. energy: -3.685
local terms energy: -249.795531
where:
bonds (distance) C4'-P energy: -67.107
bonds (distance) P-C4' energy: -72.117
flat angles C4'-P-C4' energy: -79.331
flat angles P-C4'-P energy: -32.790
tors. eta vs tors. theta energy: 1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -321.153951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.153951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.153951 (E_RNA)
where:
Base-Base interactions energy: -124.662
where: short stacking energy: -95.504
Base-Backbone interact. energy: -4.064
local terms energy: -192.428123
where:
bonds (distance) C4'-P energy: -67.504
bonds (distance) P-C4' energy: -64.323
flat angles C4'-P-C4' energy: -45.782
flat angles P-C4'-P energy: -32.557
tors. eta vs tors. theta energy: 17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -381.233022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.233022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.233022 (E_RNA)
where:
Base-Base interactions energy: -161.633
where: short stacking energy: -101.808
Base-Backbone interact. energy: 6.755
local terms energy: -226.355202
where:
bonds (distance) C4'-P energy: -61.693
bonds (distance) P-C4' energy: -72.837
flat angles C4'-P-C4' energy: -55.426
flat angles P-C4'-P energy: -45.184
tors. eta vs tors. theta energy: 8.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1431.781613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.781613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.781613 (E_RNA)
where:
Base-Base interactions energy: -991.883
where: short stacking energy: -436.758
Base-Backbone interact. energy: 0.663
local terms energy: -440.561051
where:
bonds (distance) C4'-P energy: -75.273
bonds (distance) P-C4' energy: -73.122
flat angles C4'-P-C4' energy: -98.849
flat angles P-C4'-P energy: -60.017
tors. eta vs tors. theta energy: -133.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1357.450382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.450382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.450382 (E_RNA)
where:
Base-Base interactions energy: -926.462
where: short stacking energy: -392.480
Base-Backbone interact. energy: -1.111
local terms energy: -429.876962
where:
bonds (distance) C4'-P energy: -83.130
bonds (distance) P-C4' energy: -74.282
flat angles C4'-P-C4' energy: -89.490
flat angles P-C4'-P energy: -58.059
tors. eta vs tors. theta energy: -124.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1254.477221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.477221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.477221 (E_RNA)
where:
Base-Base interactions energy: -866.012
where: short stacking energy: -357.166
Base-Backbone interact. energy: -1.694
local terms energy: -386.771190
where:
bonds (distance) C4'-P energy: -77.492
bonds (distance) P-C4' energy: -79.181
flat angles C4'-P-C4' energy: -79.757
flat angles P-C4'-P energy: -55.415
tors. eta vs tors. theta energy: -94.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1285.543020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.543020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.543020 (E_RNA)
where:
Base-Base interactions energy: -884.147
where: short stacking energy: -364.192
Base-Backbone interact. energy: 0.850
local terms energy: -402.246361
where:
bonds (distance) C4'-P energy: -77.161
bonds (distance) P-C4' energy: -79.360
flat angles C4'-P-C4' energy: -80.589
flat angles P-C4'-P energy: -49.455
tors. eta vs tors. theta energy: -115.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1144.220196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.220196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.220196 (E_RNA)
where:
Base-Base interactions energy: -771.302
where: short stacking energy: -325.069
Base-Backbone interact. energy: -0.492
local terms energy: -372.425787
where:
bonds (distance) C4'-P energy: -69.411
bonds (distance) P-C4' energy: -72.852
flat angles C4'-P-C4' energy: -81.724
flat angles P-C4'-P energy: -55.299
tors. eta vs tors. theta energy: -93.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -942.499820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.499820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.499820 (E_RNA)
where:
Base-Base interactions energy: -607.436
where: short stacking energy: -283.142
Base-Backbone interact. energy: -1.919
local terms energy: -333.144216
where:
bonds (distance) C4'-P energy: -60.244
bonds (distance) P-C4' energy: -60.535
flat angles C4'-P-C4' energy: -73.005
flat angles P-C4'-P energy: -51.537
tors. eta vs tors. theta energy: -87.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -943.952708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.952708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.952708 (E_RNA)
where:
Base-Base interactions energy: -633.922
where: short stacking energy: -253.339
Base-Backbone interact. energy: 1.264
local terms energy: -311.294794
where:
bonds (distance) C4'-P energy: -58.230
bonds (distance) P-C4' energy: -69.468
flat angles C4'-P-C4' energy: -73.633
flat angles P-C4'-P energy: -49.747
tors. eta vs tors. theta energy: -60.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -527.865354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.865354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.865354 (E_RNA)
where:
Base-Base interactions energy: -261.037
where: short stacking energy: -142.864
Base-Backbone interact. energy: 3.719
local terms energy: -270.547439
where:
bonds (distance) C4'-P energy: -63.290
bonds (distance) P-C4' energy: -79.979
flat angles C4'-P-C4' energy: -64.032
flat angles P-C4'-P energy: -38.284
tors. eta vs tors. theta energy: -24.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -465.112886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.112886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.112886 (E_RNA)
where:
Base-Base interactions energy: -245.604
where: short stacking energy: -120.553
Base-Backbone interact. energy: -0.292
local terms energy: -219.216708
where:
bonds (distance) C4'-P energy: -51.250
bonds (distance) P-C4' energy: -64.767
flat angles C4'-P-C4' energy: -58.352
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -322.296865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.296865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.296865 (E_RNA)
where:
Base-Base interactions energy: -136.158
where: short stacking energy: -86.052
Base-Backbone interact. energy: 1.510
local terms energy: -187.648756
where:
bonds (distance) C4'-P energy: -64.942
bonds (distance) P-C4' energy: -56.705
flat angles C4'-P-C4' energy: -60.225
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: 17.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1413.121617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.121617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.121617 (E_RNA)
where:
Base-Base interactions energy: -964.298
where: short stacking energy: -413.429
Base-Backbone interact. energy: -1.593
local terms energy: -447.230622
where:
bonds (distance) C4'-P energy: -82.410
bonds (distance) P-C4' energy: -84.258
flat angles C4'-P-C4' energy: -89.226
flat angles P-C4'-P energy: -64.047
tors. eta vs tors. theta energy: -127.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1317.979760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.979760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.979760 (E_RNA)
where:
Base-Base interactions energy: -896.202
where: short stacking energy: -388.929
Base-Backbone interact. energy: -1.722
local terms energy: -420.056128
where:
bonds (distance) C4'-P energy: -80.465
bonds (distance) P-C4' energy: -89.888
flat angles C4'-P-C4' energy: -77.263
flat angles P-C4'-P energy: -55.872
tors. eta vs tors. theta energy: -116.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1253.865095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.865095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.865095 (E_RNA)
where:
Base-Base interactions energy: -857.460
where: short stacking energy: -349.334
Base-Backbone interact. energy: -0.748
local terms energy: -395.657503
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -62.123
flat angles C4'-P-C4' energy: -91.954
flat angles P-C4'-P energy: -53.128
tors. eta vs tors. theta energy: -103.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1248.880001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.880001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.880001 (E_RNA)
where:
Base-Base interactions energy: -846.201
where: short stacking energy: -354.109
Base-Backbone interact. energy: -0.454
local terms energy: -402.225039
where:
bonds (distance) C4'-P energy: -70.880
bonds (distance) P-C4' energy: -69.083
flat angles C4'-P-C4' energy: -90.121
flat angles P-C4'-P energy: -50.627
tors. eta vs tors. theta energy: -121.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1128.442181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.442181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.442181 (E_RNA)
where:
Base-Base interactions energy: -783.688
where: short stacking energy: -325.652
Base-Backbone interact. energy: -0.774
local terms energy: -343.980099
where:
bonds (distance) C4'-P energy: -55.432
bonds (distance) P-C4' energy: -67.744
flat angles C4'-P-C4' energy: -81.258
flat angles P-C4'-P energy: -50.536
tors. eta vs tors. theta energy: -89.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -965.735451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.735451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.735451 (E_RNA)
where:
Base-Base interactions energy: -614.027
where: short stacking energy: -257.588
Base-Backbone interact. energy: 1.755
local terms energy: -353.463828
where:
bonds (distance) C4'-P energy: -81.010
bonds (distance) P-C4' energy: -69.783
flat angles C4'-P-C4' energy: -69.912
flat angles P-C4'-P energy: -49.912
tors. eta vs tors. theta energy: -82.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -987.960013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.960013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.960013 (E_RNA)
where:
Base-Base interactions energy: -657.095
where: short stacking energy: -282.771
Base-Backbone interact. energy: -2.682
local terms energy: -328.183424
where:
bonds (distance) C4'-P energy: -71.371
bonds (distance) P-C4' energy: -65.232
flat angles C4'-P-C4' energy: -69.371
flat angles P-C4'-P energy: -49.406
tors. eta vs tors. theta energy: -72.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -485.634000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.634000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.634000 (E_RNA)
where:
Base-Base interactions energy: -249.946
where: short stacking energy: -146.800
Base-Backbone interact. energy: 2.552
local terms energy: -238.240081
where:
bonds (distance) C4'-P energy: -63.817
bonds (distance) P-C4' energy: -75.441
flat angles C4'-P-C4' energy: -51.301
flat angles P-C4'-P energy: -34.343
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -541.160574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.160574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.160574 (E_RNA)
where:
Base-Base interactions energy: -283.738
where: short stacking energy: -146.444
Base-Backbone interact. energy: 2.820
local terms energy: -260.241920
where:
bonds (distance) C4'-P energy: -79.441
bonds (distance) P-C4' energy: -68.661
flat angles C4'-P-C4' energy: -62.221
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -303.910348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.910348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.910348 (E_RNA)
where:
Base-Base interactions energy: -112.385
where: short stacking energy: -84.627
Base-Backbone interact. energy: 0.491
local terms energy: -192.017055
where:
bonds (distance) C4'-P energy: -50.694
bonds (distance) P-C4' energy: -69.445
flat angles C4'-P-C4' energy: -65.269
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: 12.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1439.166440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.166440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.166440 (E_RNA)
where:
Base-Base interactions energy: -993.371
where: short stacking energy: -411.249
Base-Backbone interact. energy: -1.504
local terms energy: -444.291281
where:
bonds (distance) C4'-P energy: -76.541
bonds (distance) P-C4' energy: -85.786
flat angles C4'-P-C4' energy: -95.692
flat angles P-C4'-P energy: -52.986
tors. eta vs tors. theta energy: -133.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1340.331047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.331047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.331047 (E_RNA)
where:
Base-Base interactions energy: -915.535
where: short stacking energy: -390.864
Base-Backbone interact. energy: 0.360
local terms energy: -425.156103
where:
bonds (distance) C4'-P energy: -74.066
bonds (distance) P-C4' energy: -77.884
flat angles C4'-P-C4' energy: -89.802
flat angles P-C4'-P energy: -61.629
tors. eta vs tors. theta energy: -121.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1254.265685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.265685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.265685 (E_RNA)
where:
Base-Base interactions energy: -857.931
where: short stacking energy: -364.825
Base-Backbone interact. energy: -1.353
local terms energy: -394.981227
where:
bonds (distance) C4'-P energy: -74.240
bonds (distance) P-C4' energy: -77.798
flat angles C4'-P-C4' energy: -86.029
flat angles P-C4'-P energy: -58.376
tors. eta vs tors. theta energy: -98.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1251.524088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.524088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.524088 (E_RNA)
where:
Base-Base interactions energy: -859.722
where: short stacking energy: -326.535
Base-Backbone interact. energy: 2.448
local terms energy: -394.250279
where:
bonds (distance) C4'-P energy: -79.883
bonds (distance) P-C4' energy: -75.145
flat angles C4'-P-C4' energy: -82.437
flat angles P-C4'-P energy: -53.584
tors. eta vs tors. theta energy: -103.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1069.798217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.798217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.798217 (E_RNA)
where:
Base-Base interactions energy: -701.022
where: short stacking energy: -308.933
Base-Backbone interact. energy: -1.053
local terms energy: -367.723936
where:
bonds (distance) C4'-P energy: -72.369
bonds (distance) P-C4' energy: -72.664
flat angles C4'-P-C4' energy: -88.108
flat angles P-C4'-P energy: -48.712
tors. eta vs tors. theta energy: -85.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -927.192742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.192742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.192742 (E_RNA)
where:
Base-Base interactions energy: -588.632
where: short stacking energy: -268.976
Base-Backbone interact. energy: 0.363
local terms energy: -338.924077
where:
bonds (distance) C4'-P energy: -73.926
bonds (distance) P-C4' energy: -70.747
flat angles C4'-P-C4' energy: -72.362
flat angles P-C4'-P energy: -46.685
tors. eta vs tors. theta energy: -75.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -961.571351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.571351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.571351 (E_RNA)
where:
Base-Base interactions energy: -637.987
where: short stacking energy: -274.938
Base-Backbone interact. energy: -1.248
local terms energy: -322.336798
where:
bonds (distance) C4'-P energy: -57.569
bonds (distance) P-C4' energy: -73.633
flat angles C4'-P-C4' energy: -70.433
flat angles P-C4'-P energy: -49.918
tors. eta vs tors. theta energy: -70.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -480.625059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.625059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.625059 (E_RNA)
where:
Base-Base interactions energy: -224.848
where: short stacking energy: -141.179
Base-Backbone interact. energy: 0.628
local terms energy: -256.404997
where:
bonds (distance) C4'-P energy: -54.973
bonds (distance) P-C4' energy: -70.944
flat angles C4'-P-C4' energy: -66.249
flat angles P-C4'-P energy: -52.930
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -560.968529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.968529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.968529 (E_RNA)
where:
Base-Base interactions energy: -300.449
where: short stacking energy: -160.548
Base-Backbone interact. energy: -1.258
local terms energy: -259.261468
where:
bonds (distance) C4'-P energy: -65.874
bonds (distance) P-C4' energy: -70.844
flat angles C4'-P-C4' energy: -58.562
flat angles P-C4'-P energy: -29.837
tors. eta vs tors. theta energy: -34.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -296.382241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.382241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.382241 (E_RNA)
where:
Base-Base interactions energy: -125.022
where: short stacking energy: -89.531
Base-Backbone interact. energy: 4.317
local terms energy: -175.676591
where:
bonds (distance) C4'-P energy: -59.248
bonds (distance) P-C4' energy: -57.622
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: 11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1419.999034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.999034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.999034 (E_RNA)
where:
Base-Base interactions energy: -979.476
where: short stacking energy: -416.354
Base-Backbone interact. energy: -1.431
local terms energy: -439.092620
where:
bonds (distance) C4'-P energy: -80.035
bonds (distance) P-C4' energy: -80.247
flat angles C4'-P-C4' energy: -91.822
flat angles P-C4'-P energy: -63.281
tors. eta vs tors. theta energy: -123.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1335.673072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.673072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.673072 (E_RNA)
where:
Base-Base interactions energy: -923.351
where: short stacking energy: -392.438
Base-Backbone interact. energy: -3.815
local terms energy: -408.507292
where:
bonds (distance) C4'-P energy: -82.936
bonds (distance) P-C4' energy: -79.333
flat angles C4'-P-C4' energy: -80.730
flat angles P-C4'-P energy: -47.521
tors. eta vs tors. theta energy: -117.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1242.408449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.408449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.408449 (E_RNA)
where:
Base-Base interactions energy: -854.683
where: short stacking energy: -340.533
Base-Backbone interact. energy: -1.552
local terms energy: -386.173278
where:
bonds (distance) C4'-P energy: -80.630
bonds (distance) P-C4' energy: -78.967
flat angles C4'-P-C4' energy: -79.942
flat angles P-C4'-P energy: -53.204
tors. eta vs tors. theta energy: -93.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1261.370397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.370397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.370397 (E_RNA)
where:
Base-Base interactions energy: -843.631
where: short stacking energy: -373.955
Base-Backbone interact. energy: -1.654
local terms energy: -416.085151
where:
bonds (distance) C4'-P energy: -66.584
bonds (distance) P-C4' energy: -74.673
flat angles C4'-P-C4' energy: -95.010
flat angles P-C4'-P energy: -57.891
tors. eta vs tors. theta energy: -121.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1045.388366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.388366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.388366 (E_RNA)
where:
Base-Base interactions energy: -693.646
where: short stacking energy: -290.915
Base-Backbone interact. energy: -0.357
local terms energy: -351.385049
where:
bonds (distance) C4'-P energy: -69.338
bonds (distance) P-C4' energy: -68.674
flat angles C4'-P-C4' energy: -76.808
flat angles P-C4'-P energy: -61.790
tors. eta vs tors. theta energy: -74.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1008.920844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.920844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.920844 (E_RNA)
where:
Base-Base interactions energy: -673.561
where: short stacking energy: -297.185
Base-Backbone interact. energy: 1.860
local terms energy: -337.219581
where:
bonds (distance) C4'-P energy: -65.540
bonds (distance) P-C4' energy: -77.766
flat angles C4'-P-C4' energy: -72.462
flat angles P-C4'-P energy: -40.160
tors. eta vs tors. theta energy: -81.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -913.119377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.119377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.119377 (E_RNA)
where:
Base-Base interactions energy: -577.546
where: short stacking energy: -253.995
Base-Backbone interact. energy: -0.610
local terms energy: -334.963735
where:
bonds (distance) C4'-P energy: -69.166
bonds (distance) P-C4' energy: -65.305
flat angles C4'-P-C4' energy: -65.582
flat angles P-C4'-P energy: -53.906
tors. eta vs tors. theta energy: -81.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -631.981110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.981110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.981110 (E_RNA)
where:
Base-Base interactions energy: -337.190
where: short stacking energy: -178.274
Base-Backbone interact. energy: -1.360
local terms energy: -293.431844
where:
bonds (distance) C4'-P energy: -73.827
bonds (distance) P-C4' energy: -76.901
flat angles C4'-P-C4' energy: -81.856
flat angles P-C4'-P energy: -36.650
tors. eta vs tors. theta energy: -24.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -452.011393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.011393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.011393 (E_RNA)
where:
Base-Base interactions energy: -209.557
where: short stacking energy: -114.914
Base-Backbone interact. energy: -0.782
local terms energy: -241.673155
where:
bonds (distance) C4'-P energy: -67.414
bonds (distance) P-C4' energy: -71.012
flat angles C4'-P-C4' energy: -56.265
flat angles P-C4'-P energy: -42.662
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -384.284584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.284584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.284584 (E_RNA)
where:
Base-Base interactions energy: -165.538
where: short stacking energy: -96.723
Base-Backbone interact. energy: -1.188
local terms energy: -217.558467
where:
bonds (distance) C4'-P energy: -60.925
bonds (distance) P-C4' energy: -66.025
flat angles C4'-P-C4' energy: -50.175
flat angles P-C4'-P energy: -33.021
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1407.527082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.527082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.527082 (E_RNA)
where:
Base-Base interactions energy: -976.710
where: short stacking energy: -406.138
Base-Backbone interact. energy: -0.497
local terms energy: -430.320187
where:
bonds (distance) C4'-P energy: -75.088
bonds (distance) P-C4' energy: -77.278
flat angles C4'-P-C4' energy: -87.709
flat angles P-C4'-P energy: -54.963
tors. eta vs tors. theta energy: -135.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1314.207507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.207507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.207507 (E_RNA)
where:
Base-Base interactions energy: -905.381
where: short stacking energy: -374.219
Base-Backbone interact. energy: -2.487
local terms energy: -406.339733
where:
bonds (distance) C4'-P energy: -75.057
bonds (distance) P-C4' energy: -69.598
flat angles C4'-P-C4' energy: -84.242
flat angles P-C4'-P energy: -53.203
tors. eta vs tors. theta energy: -124.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1271.134118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.134118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.134118 (E_RNA)
where:
Base-Base interactions energy: -877.669
where: short stacking energy: -358.830
Base-Backbone interact. energy: -2.178
local terms energy: -391.286648
where:
bonds (distance) C4'-P energy: -73.858
bonds (distance) P-C4' energy: -74.716
flat angles C4'-P-C4' energy: -86.880
flat angles P-C4'-P energy: -53.758
tors. eta vs tors. theta energy: -102.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1271.575286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.575286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.575286 (E_RNA)
where:
Base-Base interactions energy: -838.239
where: short stacking energy: -380.692
Base-Backbone interact. energy: -2.210
local terms energy: -431.126012
where:
bonds (distance) C4'-P energy: -74.448
bonds (distance) P-C4' energy: -76.965
flat angles C4'-P-C4' energy: -92.604
flat angles P-C4'-P energy: -61.181
tors. eta vs tors. theta energy: -125.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1111.467935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.467935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.467935 (E_RNA)
where:
Base-Base interactions energy: -737.814
where: short stacking energy: -297.335
Base-Backbone interact. energy: -3.403
local terms energy: -370.251650
where:
bonds (distance) C4'-P energy: -71.793
bonds (distance) P-C4' energy: -74.867
flat angles C4'-P-C4' energy: -67.693
flat angles P-C4'-P energy: -58.602
tors. eta vs tors. theta energy: -97.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1041.922108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.922108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.922108 (E_RNA)
where:
Base-Base interactions energy: -671.265
where: short stacking energy: -283.785
Base-Backbone interact. energy: 0.120
local terms energy: -370.777250
where:
bonds (distance) C4'-P energy: -69.795
bonds (distance) P-C4' energy: -87.008
flat angles C4'-P-C4' energy: -76.479
flat angles P-C4'-P energy: -50.196
tors. eta vs tors. theta energy: -87.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -901.917760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.917760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.917760 (E_RNA)
where:
Base-Base interactions energy: -572.862
where: short stacking energy: -253.427
Base-Backbone interact. energy: -0.698
local terms energy: -328.357549
where:
bonds (distance) C4'-P energy: -71.709
bonds (distance) P-C4' energy: -52.608
flat angles C4'-P-C4' energy: -69.733
flat angles P-C4'-P energy: -58.805
tors. eta vs tors. theta energy: -75.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -579.499893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.499893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.499893 (E_RNA)
where:
Base-Base interactions energy: -331.143
where: short stacking energy: -170.368
Base-Backbone interact. energy: 1.028
local terms energy: -249.384941
where:
bonds (distance) C4'-P energy: -62.236
bonds (distance) P-C4' energy: -67.200
flat angles C4'-P-C4' energy: -55.767
flat angles P-C4'-P energy: -35.029
tors. eta vs tors. theta energy: -29.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -424.189625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.189625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.189625 (E_RNA)
where:
Base-Base interactions energy: -188.407
where: short stacking energy: -133.462
Base-Backbone interact. energy: -0.640
local terms energy: -235.142286
where:
bonds (distance) C4'-P energy: -55.403
bonds (distance) P-C4' energy: -76.633
flat angles C4'-P-C4' energy: -65.699
flat angles P-C4'-P energy: -34.132
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -428.370374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.370374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.370374 (E_RNA)
where:
Base-Base interactions energy: -211.488
where: short stacking energy: -123.154
Base-Backbone interact. energy: -2.087
local terms energy: -214.795311
where:
bonds (distance) C4'-P energy: -60.247
bonds (distance) P-C4' energy: -56.936
flat angles C4'-P-C4' energy: -56.506
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1423.449735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.449735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.449735 (E_RNA)
where:
Base-Base interactions energy: -990.016
where: short stacking energy: -414.489
Base-Backbone interact. energy: -1.026
local terms energy: -432.408498
where:
bonds (distance) C4'-P energy: -70.231
bonds (distance) P-C4' energy: -81.707
flat angles C4'-P-C4' energy: -87.874
flat angles P-C4'-P energy: -60.573
tors. eta vs tors. theta energy: -132.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1341.972292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.972292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.972292 (E_RNA)
where:
Base-Base interactions energy: -919.934
where: short stacking energy: -384.082
Base-Backbone interact. energy: -1.406
local terms energy: -420.631646
where:
bonds (distance) C4'-P energy: -88.599
bonds (distance) P-C4' energy: -79.165
flat angles C4'-P-C4' energy: -85.572
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -114.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1267.128009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.128009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.128009 (E_RNA)
where:
Base-Base interactions energy: -880.780
where: short stacking energy: -351.571
Base-Backbone interact. energy: -0.342
local terms energy: -386.006079
where:
bonds (distance) C4'-P energy: -63.406
bonds (distance) P-C4' energy: -78.979
flat angles C4'-P-C4' energy: -83.166
flat angles P-C4'-P energy: -64.090
tors. eta vs tors. theta energy: -96.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1254.212765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.212765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.212765 (E_RNA)
where:
Base-Base interactions energy: -850.151
where: short stacking energy: -375.843
Base-Backbone interact. energy: 0.293
local terms energy: -404.354593
where:
bonds (distance) C4'-P energy: -73.937
bonds (distance) P-C4' energy: -71.725
flat angles C4'-P-C4' energy: -82.272
flat angles P-C4'-P energy: -56.008
tors. eta vs tors. theta energy: -120.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1108.324618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.324618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.324618 (E_RNA)
where:
Base-Base interactions energy: -738.830
where: short stacking energy: -305.653
Base-Backbone interact. energy: 1.033
local terms energy: -370.528112
where:
bonds (distance) C4'-P energy: -74.702
bonds (distance) P-C4' energy: -73.196
flat angles C4'-P-C4' energy: -77.346
flat angles P-C4'-P energy: -48.343
tors. eta vs tors. theta energy: -96.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1070.099878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.099878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.099878 (E_RNA)
where:
Base-Base interactions energy: -715.557
where: short stacking energy: -321.689
Base-Backbone interact. energy: -0.259
local terms energy: -354.283786
where:
bonds (distance) C4'-P energy: -80.300
bonds (distance) P-C4' energy: -65.062
flat angles C4'-P-C4' energy: -72.674
flat angles P-C4'-P energy: -46.732
tors. eta vs tors. theta energy: -89.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -929.950761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.950761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.950761 (E_RNA)
where:
Base-Base interactions energy: -577.595
where: short stacking energy: -270.043
Base-Backbone interact. energy: -1.036
local terms energy: -351.320248
where:
bonds (distance) C4'-P energy: -82.637
bonds (distance) P-C4' energy: -68.792
flat angles C4'-P-C4' energy: -71.807
flat angles P-C4'-P energy: -49.745
tors. eta vs tors. theta energy: -78.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -545.150908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.150908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.150908 (E_RNA)
where:
Base-Base interactions energy: -291.799
where: short stacking energy: -162.143
Base-Backbone interact. energy: 2.265
local terms energy: -255.616869
where:
bonds (distance) C4'-P energy: -72.203
bonds (distance) P-C4' energy: -70.368
flat angles C4'-P-C4' energy: -59.233
flat angles P-C4'-P energy: -29.000
tors. eta vs tors. theta energy: -24.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -420.501329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.501329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.501329 (E_RNA)
where:
Base-Base interactions energy: -206.110
where: short stacking energy: -113.563
Base-Backbone interact. energy: -0.380
local terms energy: -214.011127
where:
bonds (distance) C4'-P energy: -58.118
bonds (distance) P-C4' energy: -53.804
flat angles C4'-P-C4' energy: -59.601
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -422.225331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.225331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.225331 (E_RNA)
where:
Base-Base interactions energy: -187.918
where: short stacking energy: -127.665
Base-Backbone interact. energy: -0.304
local terms energy: -234.003168
where:
bonds (distance) C4'-P energy: -62.854
bonds (distance) P-C4' energy: -63.244
flat angles C4'-P-C4' energy: -59.462
flat angles P-C4'-P energy: -38.399
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1424.187720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.187720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.187720 (E_RNA)
where:
Base-Base interactions energy: -980.150
where: short stacking energy: -414.785
Base-Backbone interact. energy: -0.794
local terms energy: -443.243755
where:
bonds (distance) C4'-P energy: -79.055
bonds (distance) P-C4' energy: -82.266
flat angles C4'-P-C4' energy: -89.952
flat angles P-C4'-P energy: -59.673
tors. eta vs tors. theta energy: -132.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1316.839449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.839449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.839449 (E_RNA)
where:
Base-Base interactions energy: -899.545
where: short stacking energy: -385.695
Base-Backbone interact. energy: -3.350
local terms energy: -413.944360
where:
bonds (distance) C4'-P energy: -87.132
bonds (distance) P-C4' energy: -68.939
flat angles C4'-P-C4' energy: -85.850
flat angles P-C4'-P energy: -56.689
tors. eta vs tors. theta energy: -115.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1272.947026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.947026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.947026 (E_RNA)
where:
Base-Base interactions energy: -865.320
where: short stacking energy: -351.169
Base-Backbone interact. energy: -2.499
local terms energy: -405.128481
where:
bonds (distance) C4'-P energy: -78.807
bonds (distance) P-C4' energy: -84.214
flat angles C4'-P-C4' energy: -86.382
flat angles P-C4'-P energy: -52.839
tors. eta vs tors. theta energy: -102.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1252.771076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.771076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.771076 (E_RNA)
where:
Base-Base interactions energy: -860.887
where: short stacking energy: -350.824
Base-Backbone interact. energy: -0.655
local terms energy: -391.228784
where:
bonds (distance) C4'-P energy: -64.658
bonds (distance) P-C4' energy: -76.001
flat angles C4'-P-C4' energy: -78.600
flat angles P-C4'-P energy: -54.699
tors. eta vs tors. theta energy: -117.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1109.732464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.732464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.732464 (E_RNA)
where:
Base-Base interactions energy: -747.760
where: short stacking energy: -324.002
Base-Backbone interact. energy: -0.523
local terms energy: -361.449356
where:
bonds (distance) C4'-P energy: -60.090
bonds (distance) P-C4' energy: -76.392
flat angles C4'-P-C4' energy: -79.950
flat angles P-C4'-P energy: -50.964
tors. eta vs tors. theta energy: -94.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1042.405428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.405428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.405428 (E_RNA)
where:
Base-Base interactions energy: -709.489
where: short stacking energy: -285.186
Base-Backbone interact. energy: -1.602
local terms energy: -331.313891
where:
bonds (distance) C4'-P energy: -59.917
bonds (distance) P-C4' energy: -72.622
flat angles C4'-P-C4' energy: -74.594
flat angles P-C4'-P energy: -47.556
tors. eta vs tors. theta energy: -76.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -878.058550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.058550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.058550 (E_RNA)
where:
Base-Base interactions energy: -523.832
where: short stacking energy: -239.914
Base-Backbone interact. energy: -2.676
local terms energy: -351.550994
where:
bonds (distance) C4'-P energy: -69.636
bonds (distance) P-C4' energy: -88.132
flat angles C4'-P-C4' energy: -77.419
flat angles P-C4'-P energy: -45.361
tors. eta vs tors. theta energy: -71.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -537.606219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.606219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.606219 (E_RNA)
where:
Base-Base interactions energy: -287.169
where: short stacking energy: -146.221
Base-Backbone interact. energy: 3.903
local terms energy: -254.340216
where:
bonds (distance) C4'-P energy: -69.415
bonds (distance) P-C4' energy: -76.742
flat angles C4'-P-C4' energy: -61.261
flat angles P-C4'-P energy: -32.326
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -445.720950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.720950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.720950 (E_RNA)
where:
Base-Base interactions energy: -221.098
where: short stacking energy: -135.404
Base-Backbone interact. energy: -0.251
local terms energy: -224.372169
where:
bonds (distance) C4'-P energy: -63.196
bonds (distance) P-C4' energy: -63.786
flat angles C4'-P-C4' energy: -48.879
flat angles P-C4'-P energy: -45.469
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -416.273122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.273122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.273122 (E_RNA)
where:
Base-Base interactions energy: -197.636
where: short stacking energy: -114.780
Base-Backbone interact. energy: -2.622
local terms energy: -216.014997
where:
bonds (distance) C4'-P energy: -60.946
bonds (distance) P-C4' energy: -64.359
flat angles C4'-P-C4' energy: -63.535
flat angles P-C4'-P energy: -39.683
tors. eta vs tors. theta energy: 12.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1437.672714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.672714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.672714 (E_RNA)
where:
Base-Base interactions energy: -985.380
where: short stacking energy: -412.987
Base-Backbone interact. energy: 0.130
local terms energy: -452.423644
where:
bonds (distance) C4'-P energy: -90.370
bonds (distance) P-C4' energy: -75.863
flat angles C4'-P-C4' energy: -94.896
flat angles P-C4'-P energy: -61.354
tors. eta vs tors. theta energy: -129.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1321.526307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.526307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.526307 (E_RNA)
where:
Base-Base interactions energy: -909.514
where: short stacking energy: -385.378
Base-Backbone interact. energy: -0.139
local terms energy: -411.873794
where:
bonds (distance) C4'-P energy: -65.739
bonds (distance) P-C4' energy: -78.442
flat angles C4'-P-C4' energy: -92.045
flat angles P-C4'-P energy: -53.863
tors. eta vs tors. theta energy: -121.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1250.097009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.097009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.097009 (E_RNA)
where:
Base-Base interactions energy: -861.242
where: short stacking energy: -343.404
Base-Backbone interact. energy: -1.410
local terms energy: -387.444909
where:
bonds (distance) C4'-P energy: -70.946
bonds (distance) P-C4' energy: -70.300
flat angles C4'-P-C4' energy: -84.647
flat angles P-C4'-P energy: -54.802
tors. eta vs tors. theta energy: -106.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1261.227264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.227264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.227264 (E_RNA)
where:
Base-Base interactions energy: -868.051
where: short stacking energy: -357.656
Base-Backbone interact. energy: -1.365
local terms energy: -391.810867
where:
bonds (distance) C4'-P energy: -63.786
bonds (distance) P-C4' energy: -66.122
flat angles C4'-P-C4' energy: -84.931
flat angles P-C4'-P energy: -57.955
tors. eta vs tors. theta energy: -119.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1071.219998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.219998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.219998 (E_RNA)
where:
Base-Base interactions energy: -733.827
where: short stacking energy: -308.002
Base-Backbone interact. energy: 0.838
local terms energy: -338.231486
where:
bonds (distance) C4'-P energy: -60.001
bonds (distance) P-C4' energy: -66.477
flat angles C4'-P-C4' energy: -75.420
flat angles P-C4'-P energy: -54.605
tors. eta vs tors. theta energy: -81.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1015.181049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.181049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.181049 (E_RNA)
where:
Base-Base interactions energy: -656.318
where: short stacking energy: -279.136
Base-Backbone interact. energy: 0.794
local terms energy: -359.657812
where:
bonds (distance) C4'-P energy: -69.541
bonds (distance) P-C4' energy: -69.027
flat angles C4'-P-C4' energy: -85.724
flat angles P-C4'-P energy: -58.907
tors. eta vs tors. theta energy: -76.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -942.537940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.537940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.537940 (E_RNA)
where:
Base-Base interactions energy: -607.691
where: short stacking energy: -261.413
Base-Backbone interact. energy: -1.231
local terms energy: -333.615786
where:
bonds (distance) C4'-P energy: -69.046
bonds (distance) P-C4' energy: -72.025
flat angles C4'-P-C4' energy: -64.409
flat angles P-C4'-P energy: -44.424
tors. eta vs tors. theta energy: -83.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -573.383116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.383116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.383116 (E_RNA)
where:
Base-Base interactions energy: -305.249
where: short stacking energy: -163.544
Base-Backbone interact. energy: 0.081
local terms energy: -268.215367
where:
bonds (distance) C4'-P energy: -78.816
bonds (distance) P-C4' energy: -77.713
flat angles C4'-P-C4' energy: -56.097
flat angles P-C4'-P energy: -35.114
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -426.577909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.577909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.577909 (E_RNA)
where:
Base-Base interactions energy: -175.940
where: short stacking energy: -114.601
Base-Backbone interact. energy: -0.129
local terms energy: -250.508746
where:
bonds (distance) C4'-P energy: -65.625
bonds (distance) P-C4' energy: -62.993
flat angles C4'-P-C4' energy: -66.569
flat angles P-C4'-P energy: -38.745
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -383.160479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.160479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.160479 (E_RNA)
where:
Base-Base interactions energy: -168.075
where: short stacking energy: -102.986
Base-Backbone interact. energy: 8.403
local terms energy: -223.488836
where:
bonds (distance) C4'-P energy: -60.831
bonds (distance) P-C4' energy: -82.754
flat angles C4'-P-C4' energy: -42.687
flat angles P-C4'-P energy: -41.965
tors. eta vs tors. theta energy: 4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1420.375290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.375290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.375290 (E_RNA)
where:
Base-Base interactions energy: -985.602
where: short stacking energy: -414.088
Base-Backbone interact. energy: -1.588
local terms energy: -433.185051
where:
bonds (distance) C4'-P energy: -76.333
bonds (distance) P-C4' energy: -71.957
flat angles C4'-P-C4' energy: -95.267
flat angles P-C4'-P energy: -60.599
tors. eta vs tors. theta energy: -129.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1330.926942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.926942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.926942 (E_RNA)
where:
Base-Base interactions energy: -920.837
where: short stacking energy: -404.599
Base-Backbone interact. energy: -0.848
local terms energy: -409.241873
where:
bonds (distance) C4'-P energy: -61.404
bonds (distance) P-C4' energy: -84.055
flat angles C4'-P-C4' energy: -91.459
flat angles P-C4'-P energy: -58.373
tors. eta vs tors. theta energy: -113.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1295.418109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.418109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.418109 (E_RNA)
where:
Base-Base interactions energy: -896.948
where: short stacking energy: -376.583
Base-Backbone interact. energy: -1.307
local terms energy: -397.162770
where:
bonds (distance) C4'-P energy: -75.490
bonds (distance) P-C4' energy: -69.547
flat angles C4'-P-C4' energy: -87.632
flat angles P-C4'-P energy: -50.667
tors. eta vs tors. theta energy: -113.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1221.553377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.553377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.553377 (E_RNA)
where:
Base-Base interactions energy: -843.838
where: short stacking energy: -373.924
Base-Backbone interact. energy: -3.158
local terms energy: -374.556827
where:
bonds (distance) C4'-P energy: -61.277
bonds (distance) P-C4' energy: -74.296
flat angles C4'-P-C4' energy: -81.345
flat angles P-C4'-P energy: -53.204
tors. eta vs tors. theta energy: -104.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1106.729358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.729358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.729358 (E_RNA)
where:
Base-Base interactions energy: -740.904
where: short stacking energy: -304.983
Base-Backbone interact. energy: -2.632
local terms energy: -363.194149
where:
bonds (distance) C4'-P energy: -62.797
bonds (distance) P-C4' energy: -70.124
flat angles C4'-P-C4' energy: -81.747
flat angles P-C4'-P energy: -56.305
tors. eta vs tors. theta energy: -92.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -967.669779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.669779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.669779 (E_RNA)
where:
Base-Base interactions energy: -657.818
where: short stacking energy: -294.289
Base-Backbone interact. energy: 7.829
local terms energy: -317.680398
where:
bonds (distance) C4'-P energy: -60.153
bonds (distance) P-C4' energy: -72.785
flat angles C4'-P-C4' energy: -67.729
flat angles P-C4'-P energy: -48.362
tors. eta vs tors. theta energy: -68.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -927.864803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.864803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.864803 (E_RNA)
where:
Base-Base interactions energy: -592.549
where: short stacking energy: -261.916
Base-Backbone interact. energy: -1.135
local terms energy: -334.180810
where:
bonds (distance) C4'-P energy: -73.127
bonds (distance) P-C4' energy: -66.360
flat angles C4'-P-C4' energy: -76.759
flat angles P-C4'-P energy: -40.700
tors. eta vs tors. theta energy: -77.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -595.878916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.878916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.878916 (E_RNA)
where:
Base-Base interactions energy: -328.667
where: short stacking energy: -167.148
Base-Backbone interact. energy: 2.390
local terms energy: -269.602140
where:
bonds (distance) C4'-P energy: -61.466
bonds (distance) P-C4' energy: -72.483
flat angles C4'-P-C4' energy: -73.777
flat angles P-C4'-P energy: -47.368
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -401.638819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.638819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.638819 (E_RNA)
where:
Base-Base interactions energy: -172.553
where: short stacking energy: -97.288
Base-Backbone interact. energy: 0.218
local terms energy: -229.303375
where:
bonds (distance) C4'-P energy: -55.595
bonds (distance) P-C4' energy: -85.997
flat angles C4'-P-C4' energy: -56.855
flat angles P-C4'-P energy: -34.053
tors. eta vs tors. theta energy: 3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -379.814101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.814101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.814101 (E_RNA)
where:
Base-Base interactions energy: -193.723
where: short stacking energy: -107.976
Base-Backbone interact. energy: 0.159
local terms energy: -186.250473
where:
bonds (distance) C4'-P energy: -70.681
bonds (distance) P-C4' energy: -44.613
flat angles C4'-P-C4' energy: -53.585
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: 7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1442.839815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.839815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.839815 (E_RNA)
where:
Base-Base interactions energy: -993.912
where: short stacking energy: -412.639
Base-Backbone interact. energy: -0.703
local terms energy: -448.223951
where:
bonds (distance) C4'-P energy: -81.707
bonds (distance) P-C4' energy: -85.783
flat angles C4'-P-C4' energy: -90.605
flat angles P-C4'-P energy: -63.938
tors. eta vs tors. theta energy: -126.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1341.892288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.892288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.892288 (E_RNA)
where:
Base-Base interactions energy: -928.119
where: short stacking energy: -398.922
Base-Backbone interact. energy: 1.007
local terms energy: -414.780730
where:
bonds (distance) C4'-P energy: -74.986
bonds (distance) P-C4' energy: -81.075
flat angles C4'-P-C4' energy: -82.471
flat angles P-C4'-P energy: -58.062
tors. eta vs tors. theta energy: -118.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1297.278917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.278917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.278917 (E_RNA)
where:
Base-Base interactions energy: -885.355
where: short stacking energy: -357.925
Base-Backbone interact. energy: -0.066
local terms energy: -411.857858
where:
bonds (distance) C4'-P energy: -84.417
bonds (distance) P-C4' energy: -83.749
flat angles C4'-P-C4' energy: -83.065
flat angles P-C4'-P energy: -52.989
tors. eta vs tors. theta energy: -107.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1189.807335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.807335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.807335 (E_RNA)
where:
Base-Base interactions energy: -804.237
where: short stacking energy: -335.177
Base-Backbone interact. energy: -2.285
local terms energy: -383.284500
where:
bonds (distance) C4'-P energy: -78.237
bonds (distance) P-C4' energy: -82.761
flat angles C4'-P-C4' energy: -73.584
flat angles P-C4'-P energy: -52.726
tors. eta vs tors. theta energy: -95.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1112.181474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.181474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.181474 (E_RNA)
where:
Base-Base interactions energy: -745.881
where: short stacking energy: -323.192
Base-Backbone interact. energy: -0.753
local terms energy: -365.547297
where:
bonds (distance) C4'-P energy: -66.452
bonds (distance) P-C4' energy: -68.751
flat angles C4'-P-C4' energy: -77.468
flat angles P-C4'-P energy: -56.804
tors. eta vs tors. theta energy: -96.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1003.774727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.774727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.774727 (E_RNA)
where:
Base-Base interactions energy: -664.599
where: short stacking energy: -281.637
Base-Backbone interact. energy: -2.427
local terms energy: -336.749012
where:
bonds (distance) C4'-P energy: -66.907
bonds (distance) P-C4' energy: -65.379
flat angles C4'-P-C4' energy: -77.869
flat angles P-C4'-P energy: -48.651
tors. eta vs tors. theta energy: -77.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -922.306446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.306446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.306446 (E_RNA)
where:
Base-Base interactions energy: -593.150
where: short stacking energy: -272.560
Base-Backbone interact. energy: 0.784
local terms energy: -329.940759
where:
bonds (distance) C4'-P energy: -60.871
bonds (distance) P-C4' energy: -76.754
flat angles C4'-P-C4' energy: -74.436
flat angles P-C4'-P energy: -49.234
tors. eta vs tors. theta energy: -68.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -546.950596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.950596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.950596 (E_RNA)
where:
Base-Base interactions energy: -294.332
where: short stacking energy: -154.196
Base-Backbone interact. energy: 0.377
local terms energy: -252.995880
where:
bonds (distance) C4'-P energy: -72.845
bonds (distance) P-C4' energy: -64.676
flat angles C4'-P-C4' energy: -55.391
flat angles P-C4'-P energy: -37.558
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -403.810583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.810583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.810583 (E_RNA)
where:
Base-Base interactions energy: -174.468
where: short stacking energy: -103.569
Base-Backbone interact. energy: 0.363
local terms energy: -229.705898
where:
bonds (distance) C4'-P energy: -60.078
bonds (distance) P-C4' energy: -82.264
flat angles C4'-P-C4' energy: -61.386
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: 8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -313.661980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.661980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.661980 (E_RNA)
where:
Base-Base interactions energy: -95.602
where: short stacking energy: -85.602
Base-Backbone interact. energy: 5.734
local terms energy: -223.793868
where:
bonds (distance) C4'-P energy: -62.479
bonds (distance) P-C4' energy: -80.664
flat angles C4'-P-C4' energy: -68.167
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: 13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1431.772528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.772528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.772528 (E_RNA)
where:
Base-Base interactions energy: -992.208
where: short stacking energy: -427.689
Base-Backbone interact. energy: 0.021
local terms energy: -439.585874
where:
bonds (distance) C4'-P energy: -85.157
bonds (distance) P-C4' energy: -71.729
flat angles C4'-P-C4' energy: -91.133
flat angles P-C4'-P energy: -61.994
tors. eta vs tors. theta energy: -129.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1322.897768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.897768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.897768 (E_RNA)
where:
Base-Base interactions energy: -915.787
where: short stacking energy: -370.928
Base-Backbone interact. energy: -1.544
local terms energy: -405.566632
where:
bonds (distance) C4'-P energy: -75.706
bonds (distance) P-C4' energy: -79.395
flat angles C4'-P-C4' energy: -81.247
flat angles P-C4'-P energy: -48.969
tors. eta vs tors. theta energy: -120.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1314.299103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.299103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.299103 (E_RNA)
where:
Base-Base interactions energy: -899.245
where: short stacking energy: -379.271
Base-Backbone interact. energy: -1.578
local terms energy: -413.475863
where:
bonds (distance) C4'-P energy: -69.348
bonds (distance) P-C4' energy: -72.362
flat angles C4'-P-C4' energy: -90.483
flat angles P-C4'-P energy: -62.230
tors. eta vs tors. theta energy: -119.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1164.867863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.867863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.867863 (E_RNA)
where:
Base-Base interactions energy: -816.307
where: short stacking energy: -344.356
Base-Backbone interact. energy: 0.397
local terms energy: -348.957705
where:
bonds (distance) C4'-P energy: -58.494
bonds (distance) P-C4' energy: -59.875
flat angles C4'-P-C4' energy: -80.197
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -97.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1136.521702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.521702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.521702 (E_RNA)
where:
Base-Base interactions energy: -791.301
where: short stacking energy: -331.315
Base-Backbone interact. energy: 1.761
local terms energy: -346.982152
where:
bonds (distance) C4'-P energy: -64.784
bonds (distance) P-C4' energy: -62.392
flat angles C4'-P-C4' energy: -80.342
flat angles P-C4'-P energy: -49.536
tors. eta vs tors. theta energy: -89.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1016.521149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.521149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.521149 (E_RNA)
where:
Base-Base interactions energy: -706.987
where: short stacking energy: -298.817
Base-Backbone interact. energy: 1.714
local terms energy: -311.248233
where:
bonds (distance) C4'-P energy: -63.665
bonds (distance) P-C4' energy: -69.065
flat angles C4'-P-C4' energy: -61.231
flat angles P-C4'-P energy: -39.414
tors. eta vs tors. theta energy: -77.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -921.078032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.078032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.078032 (E_RNA)
where:
Base-Base interactions energy: -618.776
where: short stacking energy: -265.287
Base-Backbone interact. energy: -0.411
local terms energy: -301.891468
where:
bonds (distance) C4'-P energy: -60.267
bonds (distance) P-C4' energy: -65.526
flat angles C4'-P-C4' energy: -63.447
flat angles P-C4'-P energy: -45.615
tors. eta vs tors. theta energy: -67.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -547.278022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.278022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.278022 (E_RNA)
where:
Base-Base interactions energy: -303.818
where: short stacking energy: -169.300
Base-Backbone interact. energy: 2.789
local terms energy: -246.248924
where:
bonds (distance) C4'-P energy: -57.620
bonds (distance) P-C4' energy: -59.799
flat angles C4'-P-C4' energy: -60.010
flat angles P-C4'-P energy: -52.157
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -442.604078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.604078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.604078 (E_RNA)
where:
Base-Base interactions energy: -221.980
where: short stacking energy: -132.327
Base-Backbone interact. energy: -0.214
local terms energy: -220.410068
where:
bonds (distance) C4'-P energy: -65.234
bonds (distance) P-C4' energy: -60.459
flat angles C4'-P-C4' energy: -59.068
flat angles P-C4'-P energy: -29.676
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -305.634761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.634761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.634761 (E_RNA)
where:
Base-Base interactions energy: -112.571
where: short stacking energy: -91.961
Base-Backbone interact. energy: 4.417
local terms energy: -197.480916
where:
bonds (distance) C4'-P energy: -63.201
bonds (distance) P-C4' energy: -65.181
flat angles C4'-P-C4' energy: -43.278
flat angles P-C4'-P energy: -46.522
tors. eta vs tors. theta energy: 20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1414.427914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.427914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.427914 (E_RNA)
where:
Base-Base interactions energy: -962.739
where: short stacking energy: -407.277
Base-Backbone interact. energy: 0.733
local terms energy: -452.421511
where:
bonds (distance) C4'-P energy: -83.275
bonds (distance) P-C4' energy: -81.621
flat angles C4'-P-C4' energy: -98.158
flat angles P-C4'-P energy: -60.515
tors. eta vs tors. theta energy: -128.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1332.885214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.885214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.885214 (E_RNA)
where:
Base-Base interactions energy: -912.677
where: short stacking energy: -380.493
Base-Backbone interact. energy: -0.755
local terms energy: -419.452916
where:
bonds (distance) C4'-P energy: -80.068
bonds (distance) P-C4' energy: -78.143
flat angles C4'-P-C4' energy: -86.848
flat angles P-C4'-P energy: -57.656
tors. eta vs tors. theta energy: -116.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1311.465599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.465599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.465599 (E_RNA)
where:
Base-Base interactions energy: -883.084
where: short stacking energy: -352.949
Base-Backbone interact. energy: -3.573
local terms energy: -424.807979
where:
bonds (distance) C4'-P energy: -70.754
bonds (distance) P-C4' energy: -87.453
flat angles C4'-P-C4' energy: -93.454
flat angles P-C4'-P energy: -57.476
tors. eta vs tors. theta energy: -115.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1191.789834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.789834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.789834 (E_RNA)
where:
Base-Base interactions energy: -813.757
where: short stacking energy: -331.607
Base-Backbone interact. energy: 3.853
local terms energy: -381.886087
where:
bonds (distance) C4'-P energy: -65.826
bonds (distance) P-C4' energy: -64.683
flat angles C4'-P-C4' energy: -85.333
flat angles P-C4'-P energy: -61.379
tors. eta vs tors. theta energy: -104.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1156.435718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.435718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.435718 (E_RNA)
where:
Base-Base interactions energy: -794.259
where: short stacking energy: -329.261
Base-Backbone interact. energy: -0.924
local terms energy: -361.253414
where:
bonds (distance) C4'-P energy: -59.290
bonds (distance) P-C4' energy: -71.556
flat angles C4'-P-C4' energy: -84.159
flat angles P-C4'-P energy: -53.666
tors. eta vs tors. theta energy: -92.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1091.924073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.924073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.924073 (E_RNA)
where:
Base-Base interactions energy: -742.796
where: short stacking energy: -312.578
Base-Backbone interact. energy: 0.098
local terms energy: -349.226175
where:
bonds (distance) C4'-P energy: -62.860
bonds (distance) P-C4' energy: -65.123
flat angles C4'-P-C4' energy: -82.147
flat angles P-C4'-P energy: -53.091
tors. eta vs tors. theta energy: -86.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -913.096809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.096809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.096809 (E_RNA)
where:
Base-Base interactions energy: -605.868
where: short stacking energy: -252.954
Base-Backbone interact. energy: -3.319
local terms energy: -303.909620
where:
bonds (distance) C4'-P energy: -70.481
bonds (distance) P-C4' energy: -54.945
flat angles C4'-P-C4' energy: -67.946
flat angles P-C4'-P energy: -32.104
tors. eta vs tors. theta energy: -78.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -457.701014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.701014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.701014 (E_RNA)
where:
Base-Base interactions energy: -212.849
where: short stacking energy: -140.502
Base-Backbone interact. energy: 1.358
local terms energy: -246.210006
where:
bonds (distance) C4'-P energy: -62.625
bonds (distance) P-C4' energy: -70.055
flat angles C4'-P-C4' energy: -55.109
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -489.741999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.741999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.741999 (E_RNA)
where:
Base-Base interactions energy: -262.294
where: short stacking energy: -134.282
Base-Backbone interact. energy: -2.166
local terms energy: -225.282062
where:
bonds (distance) C4'-P energy: -66.997
bonds (distance) P-C4' energy: -70.562
flat angles C4'-P-C4' energy: -60.703
flat angles P-C4'-P energy: -26.532
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -299.730390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.730390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.730390 (E_RNA)
where:
Base-Base interactions energy: -116.776
where: short stacking energy: -100.149
Base-Backbone interact. energy: -0.203
local terms energy: -182.751225
where:
bonds (distance) C4'-P energy: -58.345
bonds (distance) P-C4' energy: -66.741
flat angles C4'-P-C4' energy: -28.709
flat angles P-C4'-P energy: -35.819
tors. eta vs tors. theta energy: 6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1426.110263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.110263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.110263 (E_RNA)
where:
Base-Base interactions energy: -992.506
where: short stacking energy: -416.388
Base-Backbone interact. energy: -0.872
local terms energy: -432.732017
where:
bonds (distance) C4'-P energy: -87.122
bonds (distance) P-C4' energy: -68.992
flat angles C4'-P-C4' energy: -89.887
flat angles P-C4'-P energy: -56.779
tors. eta vs tors. theta energy: -129.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1347.376731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.376731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.376731 (E_RNA)
where:
Base-Base interactions energy: -919.992
where: short stacking energy: -369.251
Base-Backbone interact. energy: 0.203
local terms energy: -427.588081
where:
bonds (distance) C4'-P energy: -81.283
bonds (distance) P-C4' energy: -80.332
flat angles C4'-P-C4' energy: -90.392
flat angles P-C4'-P energy: -62.614
tors. eta vs tors. theta energy: -112.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1287.596920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.596920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.596920 (E_RNA)
where:
Base-Base interactions energy: -876.719
where: short stacking energy: -362.506
Base-Backbone interact. energy: 2.686
local terms energy: -413.563728
where:
bonds (distance) C4'-P energy: -69.282
bonds (distance) P-C4' energy: -81.724
flat angles C4'-P-C4' energy: -93.257
flat angles P-C4'-P energy: -49.241
tors. eta vs tors. theta energy: -120.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1192.643228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.643228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.643228 (E_RNA)
where:
Base-Base interactions energy: -809.155
where: short stacking energy: -320.835
Base-Backbone interact. energy: -0.489
local terms energy: -382.999317
where:
bonds (distance) C4'-P energy: -72.949
bonds (distance) P-C4' energy: -80.701
flat angles C4'-P-C4' energy: -82.455
flat angles P-C4'-P energy: -56.832
tors. eta vs tors. theta energy: -90.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1122.681299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.681299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.681299 (E_RNA)
where:
Base-Base interactions energy: -728.708
where: short stacking energy: -316.267
Base-Backbone interact. energy: 0.863
local terms energy: -394.836428
where:
bonds (distance) C4'-P energy: -83.328
bonds (distance) P-C4' energy: -79.727
flat angles C4'-P-C4' energy: -78.539
flat angles P-C4'-P energy: -52.978
tors. eta vs tors. theta energy: -100.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1090.244304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.244304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.244304 (E_RNA)
where:
Base-Base interactions energy: -737.563
where: short stacking energy: -311.781
Base-Backbone interact. energy: -3.178
local terms energy: -349.503407
where:
bonds (distance) C4'-P energy: -65.915
bonds (distance) P-C4' energy: -68.793
flat angles C4'-P-C4' energy: -64.448
flat angles P-C4'-P energy: -57.614
tors. eta vs tors. theta energy: -92.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -966.818079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.818079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.818079 (E_RNA)
where:
Base-Base interactions energy: -651.903
where: short stacking energy: -282.852
Base-Backbone interact. energy: -0.711
local terms energy: -314.204130
where:
bonds (distance) C4'-P energy: -64.805
bonds (distance) P-C4' energy: -51.855
flat angles C4'-P-C4' energy: -79.291
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -79.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -466.213241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.213241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.213241 (E_RNA)
where:
Base-Base interactions energy: -230.446
where: short stacking energy: -137.062
Base-Backbone interact. energy: -2.457
local terms energy: -233.310335
where:
bonds (distance) C4'-P energy: -59.001
bonds (distance) P-C4' energy: -66.916
flat angles C4'-P-C4' energy: -60.582
flat angles P-C4'-P energy: -41.541
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -463.584033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.584033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.584033 (E_RNA)
where:
Base-Base interactions energy: -214.329
where: short stacking energy: -128.116
Base-Backbone interact. energy: -0.588
local terms energy: -248.666848
where:
bonds (distance) C4'-P energy: -67.532
bonds (distance) P-C4' energy: -72.711
flat angles C4'-P-C4' energy: -68.144
flat angles P-C4'-P energy: -30.994
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -362.089443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.089443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.089443 (E_RNA)
where:
Base-Base interactions energy: -147.713
where: short stacking energy: -124.109
Base-Backbone interact. energy: -1.288
local terms energy: -213.088763
where:
bonds (distance) C4'-P energy: -57.348
bonds (distance) P-C4' energy: -65.965
flat angles C4'-P-C4' energy: -53.707
flat angles P-C4'-P energy: -49.115
tors. eta vs tors. theta energy: 13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1430.840841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.840841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.840841 (E_RNA)
where:
Base-Base interactions energy: -992.774
where: short stacking energy: -406.127
Base-Backbone interact. energy: -1.711
local terms energy: -436.356066
where:
bonds (distance) C4'-P energy: -80.478
bonds (distance) P-C4' energy: -84.361
flat angles C4'-P-C4' energy: -94.771
flat angles P-C4'-P energy: -53.739
tors. eta vs tors. theta energy: -123.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1337.090264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.090264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.090264 (E_RNA)
where:
Base-Base interactions energy: -920.851
where: short stacking energy: -378.223
Base-Backbone interact. energy: -4.859
local terms energy: -411.379743
where:
bonds (distance) C4'-P energy: -73.762
bonds (distance) P-C4' energy: -73.916
flat angles C4'-P-C4' energy: -90.473
flat angles P-C4'-P energy: -57.708
tors. eta vs tors. theta energy: -115.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1313.520749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.520749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.520749 (E_RNA)
where:
Base-Base interactions energy: -880.233
where: short stacking energy: -359.702
Base-Backbone interact. energy: -1.765
local terms energy: -431.522568
where:
bonds (distance) C4'-P energy: -72.547
bonds (distance) P-C4' energy: -85.207
flat angles C4'-P-C4' energy: -90.178
flat angles P-C4'-P energy: -64.635
tors. eta vs tors. theta energy: -118.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1222.116272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.116272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.116272 (E_RNA)
where:
Base-Base interactions energy: -840.214
where: short stacking energy: -342.346
Base-Backbone interact. energy: -0.409
local terms energy: -381.494185
where:
bonds (distance) C4'-P energy: -67.223
bonds (distance) P-C4' energy: -68.768
flat angles C4'-P-C4' energy: -85.301
flat angles P-C4'-P energy: -53.800
tors. eta vs tors. theta energy: -106.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1172.087011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.087011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.087011 (E_RNA)
where:
Base-Base interactions energy: -790.256
where: short stacking energy: -343.106
Base-Backbone interact. energy: -1.451
local terms energy: -380.380169
where:
bonds (distance) C4'-P energy: -65.782
bonds (distance) P-C4' energy: -72.876
flat angles C4'-P-C4' energy: -82.184
flat angles P-C4'-P energy: -53.245
tors. eta vs tors. theta energy: -106.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1089.314012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.314012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.314012 (E_RNA)
where:
Base-Base interactions energy: -730.337
where: short stacking energy: -318.746
Base-Backbone interact. energy: -0.799
local terms energy: -358.178250
where:
bonds (distance) C4'-P energy: -71.658
bonds (distance) P-C4' energy: -67.509
flat angles C4'-P-C4' energy: -77.858
flat angles P-C4'-P energy: -46.284
tors. eta vs tors. theta energy: -94.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -928.097863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.097863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.097863 (E_RNA)
where:
Base-Base interactions energy: -608.311
where: short stacking energy: -246.529
Base-Backbone interact. energy: -1.800
local terms energy: -317.986639
where:
bonds (distance) C4'-P energy: -63.258
bonds (distance) P-C4' energy: -70.278
flat angles C4'-P-C4' energy: -73.030
flat angles P-C4'-P energy: -25.767
tors. eta vs tors. theta energy: -85.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -519.213907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.213907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.213907 (E_RNA)
where:
Base-Base interactions energy: -285.437
where: short stacking energy: -150.768
Base-Backbone interact. energy: -1.756
local terms energy: -232.021164
where:
bonds (distance) C4'-P energy: -57.975
bonds (distance) P-C4' energy: -63.954
flat angles C4'-P-C4' energy: -69.579
flat angles P-C4'-P energy: -26.614
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -403.693494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.693494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.693494 (E_RNA)
where:
Base-Base interactions energy: -173.230
where: short stacking energy: -114.545
Base-Backbone interact. energy: 2.008
local terms energy: -232.471926
where:
bonds (distance) C4'-P energy: -59.505
bonds (distance) P-C4' energy: -70.977
flat angles C4'-P-C4' energy: -56.418
flat angles P-C4'-P energy: -45.628
tors. eta vs tors. theta energy: 0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -314.221558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.221558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.221558 (E_RNA)
where:
Base-Base interactions energy: -119.214
where: short stacking energy: -75.947
Base-Backbone interact. energy: 0.405
local terms energy: -195.412672
where:
bonds (distance) C4'-P energy: -66.523
bonds (distance) P-C4' energy: -74.760
flat angles C4'-P-C4' energy: -60.508
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: 15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1424.822967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.822967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.822967 (E_RNA)
where:
Base-Base interactions energy: -983.963
where: short stacking energy: -416.747
Base-Backbone interact. energy: -1.925
local terms energy: -438.934750
where:
bonds (distance) C4'-P energy: -77.561
bonds (distance) P-C4' energy: -76.647
flat angles C4'-P-C4' energy: -98.185
flat angles P-C4'-P energy: -62.068
tors. eta vs tors. theta energy: -124.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1318.061265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.061265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.061265 (E_RNA)
where:
Base-Base interactions energy: -916.888
where: short stacking energy: -380.244
Base-Backbone interact. energy: 0.610
local terms energy: -401.782714
where:
bonds (distance) C4'-P energy: -82.440
bonds (distance) P-C4' energy: -73.355
flat angles C4'-P-C4' energy: -91.351
flat angles P-C4'-P energy: -42.911
tors. eta vs tors. theta energy: -111.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1320.395333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.395333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.395333 (E_RNA)
where:
Base-Base interactions energy: -897.557
where: short stacking energy: -365.117
Base-Backbone interact. energy: -0.697
local terms energy: -422.140952
where:
bonds (distance) C4'-P energy: -80.651
bonds (distance) P-C4' energy: -78.872
flat angles C4'-P-C4' energy: -84.269
flat angles P-C4'-P energy: -54.958
tors. eta vs tors. theta energy: -123.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1230.061241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.061241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.061241 (E_RNA)
where:
Base-Base interactions energy: -839.917
where: short stacking energy: -359.653
Base-Backbone interact. energy: -3.240
local terms energy: -386.904236
where:
bonds (distance) C4'-P energy: -75.403
bonds (distance) P-C4' energy: -69.203
flat angles C4'-P-C4' energy: -85.153
flat angles P-C4'-P energy: -50.692
tors. eta vs tors. theta energy: -106.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1141.679722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.679722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.679722 (E_RNA)
where:
Base-Base interactions energy: -764.487
where: short stacking energy: -329.612
Base-Backbone interact. energy: 0.739
local terms energy: -377.931489
where:
bonds (distance) C4'-P energy: -69.497
bonds (distance) P-C4' energy: -80.628
flat angles C4'-P-C4' energy: -83.905
flat angles P-C4'-P energy: -44.744
tors. eta vs tors. theta energy: -99.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1109.477123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.477123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.477123 (E_RNA)
where:
Base-Base interactions energy: -755.960
where: short stacking energy: -319.791
Base-Backbone interact. energy: -2.422
local terms energy: -351.094362
where:
bonds (distance) C4'-P energy: -67.138
bonds (distance) P-C4' energy: -64.014
flat angles C4'-P-C4' energy: -76.668
flat angles P-C4'-P energy: -50.891
tors. eta vs tors. theta energy: -92.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -947.633565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.633565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.633565 (E_RNA)
where:
Base-Base interactions energy: -634.299
where: short stacking energy: -251.040
Base-Backbone interact. energy: -0.737
local terms energy: -312.597827
where:
bonds (distance) C4'-P energy: -65.981
bonds (distance) P-C4' energy: -62.438
flat angles C4'-P-C4' energy: -72.726
flat angles P-C4'-P energy: -49.645
tors. eta vs tors. theta energy: -61.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -463.220156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.220156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.220156 (E_RNA)
where:
Base-Base interactions energy: -215.026
where: short stacking energy: -125.932
Base-Backbone interact. energy: -1.608
local terms energy: -246.586092
where:
bonds (distance) C4'-P energy: -64.112
bonds (distance) P-C4' energy: -85.737
flat angles C4'-P-C4' energy: -55.408
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -413.540865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.540865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.540865 (E_RNA)
where:
Base-Base interactions energy: -203.483
where: short stacking energy: -86.222
Base-Backbone interact. energy: -0.405
local terms energy: -209.652795
where:
bonds (distance) C4'-P energy: -61.877
bonds (distance) P-C4' energy: -70.235
flat angles C4'-P-C4' energy: -48.445
flat angles P-C4'-P energy: -39.073
tors. eta vs tors. theta energy: 9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -303.586849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.586849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.586849 (E_RNA)
where:
Base-Base interactions energy: -104.388
where: short stacking energy: -94.823
Base-Backbone interact. energy: 1.665
local terms energy: -200.864382
where:
bonds (distance) C4'-P energy: -44.756
bonds (distance) P-C4' energy: -60.930
flat angles C4'-P-C4' energy: -62.162
flat angles P-C4'-P energy: -41.127
tors. eta vs tors. theta energy: 8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1405.515718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.515718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.515718 (E_RNA)
where:
Base-Base interactions energy: -976.217
where: short stacking energy: -430.180
Base-Backbone interact. energy: -0.923
local terms energy: -428.375572
where:
bonds (distance) C4'-P energy: -74.129
bonds (distance) P-C4' energy: -87.432
flat angles C4'-P-C4' energy: -84.193
flat angles P-C4'-P energy: -53.657
tors. eta vs tors. theta energy: -128.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1349.922066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.922066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.922066 (E_RNA)
where:
Base-Base interactions energy: -928.642
where: short stacking energy: -384.504
Base-Backbone interact. energy: -0.620
local terms energy: -420.659689
where:
bonds (distance) C4'-P energy: -67.950
bonds (distance) P-C4' energy: -77.390
flat angles C4'-P-C4' energy: -93.338
flat angles P-C4'-P energy: -65.420
tors. eta vs tors. theta energy: -116.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1308.288076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.288076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.288076 (E_RNA)
where:
Base-Base interactions energy: -924.300
where: short stacking energy: -370.254
Base-Backbone interact. energy: -2.450
local terms energy: -381.537442
where:
bonds (distance) C4'-P energy: -64.373
bonds (distance) P-C4' energy: -62.507
flat angles C4'-P-C4' energy: -82.561
flat angles P-C4'-P energy: -55.158
tors. eta vs tors. theta energy: -116.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1203.647959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.647959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.647959 (E_RNA)
where:
Base-Base interactions energy: -839.219
where: short stacking energy: -360.568
Base-Backbone interact. energy: 3.542
local terms energy: -367.971739
where:
bonds (distance) C4'-P energy: -68.788
bonds (distance) P-C4' energy: -71.666
flat angles C4'-P-C4' energy: -79.306
flat angles P-C4'-P energy: -50.792
tors. eta vs tors. theta energy: -97.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1124.008146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.008146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.008146 (E_RNA)
where:
Base-Base interactions energy: -758.737
where: short stacking energy: -299.639
Base-Backbone interact. energy: 2.946
local terms energy: -368.216910
where:
bonds (distance) C4'-P energy: -72.356
bonds (distance) P-C4' energy: -73.054
flat angles C4'-P-C4' energy: -74.255
flat angles P-C4'-P energy: -65.145
tors. eta vs tors. theta energy: -83.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1056.383176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.383176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.383176 (E_RNA)
where:
Base-Base interactions energy: -695.829
where: short stacking energy: -288.778
Base-Backbone interact. energy: -1.367
local terms energy: -359.187761
where:
bonds (distance) C4'-P energy: -65.496
bonds (distance) P-C4' energy: -73.605
flat angles C4'-P-C4' energy: -78.377
flat angles P-C4'-P energy: -48.413
tors. eta vs tors. theta energy: -93.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -861.836192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.836192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.836192 (E_RNA)
where:
Base-Base interactions energy: -555.540
where: short stacking energy: -235.173
Base-Backbone interact. energy: -1.763
local terms energy: -304.533186
where:
bonds (distance) C4'-P energy: -70.107
bonds (distance) P-C4' energy: -68.375
flat angles C4'-P-C4' energy: -70.683
flat angles P-C4'-P energy: -41.172
tors. eta vs tors. theta energy: -54.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -472.679371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.679371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.679371 (E_RNA)
where:
Base-Base interactions energy: -236.620
where: short stacking energy: -139.216
Base-Backbone interact. energy: -0.643
local terms energy: -235.415846
where:
bonds (distance) C4'-P energy: -56.267
bonds (distance) P-C4' energy: -52.407
flat angles C4'-P-C4' energy: -68.739
flat angles P-C4'-P energy: -49.322
tors. eta vs tors. theta energy: -8.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -408.210028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.210028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.210028 (E_RNA)
where:
Base-Base interactions energy: -202.677
where: short stacking energy: -127.162
Base-Backbone interact. energy: -0.219
local terms energy: -205.314269
where:
bonds (distance) C4'-P energy: -58.999
bonds (distance) P-C4' energy: -58.404
flat angles C4'-P-C4' energy: -53.453
flat angles P-C4'-P energy: -39.488
tors. eta vs tors. theta energy: 5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -323.768662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.768662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.768662 (E_RNA)
where:
Base-Base interactions energy: -117.038
where: short stacking energy: -103.488
Base-Backbone interact. energy: 0.208
local terms energy: -206.939605
where:
bonds (distance) C4'-P energy: -56.342
bonds (distance) P-C4' energy: -67.521
flat angles C4'-P-C4' energy: -48.336
flat angles P-C4'-P energy: -30.222
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1413.887125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.887125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.887125 (E_RNA)
where:
Base-Base interactions energy: -985.580
where: short stacking energy: -420.773
Base-Backbone interact. energy: 2.445
local terms energy: -430.751611
where:
bonds (distance) C4'-P energy: -68.946
bonds (distance) P-C4' energy: -73.934
flat angles C4'-P-C4' energy: -94.572
flat angles P-C4'-P energy: -59.907
tors. eta vs tors. theta energy: -133.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1363.342733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.342733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.342733 (E_RNA)
where:
Base-Base interactions energy: -925.250
where: short stacking energy: -384.489
Base-Backbone interact. energy: -0.808
local terms energy: -437.283977
where:
bonds (distance) C4'-P energy: -74.596
bonds (distance) P-C4' energy: -79.076
flat angles C4'-P-C4' energy: -95.086
flat angles P-C4'-P energy: -60.535
tors. eta vs tors. theta energy: -127.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1291.696756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.696756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.696756 (E_RNA)
where:
Base-Base interactions energy: -879.354
where: short stacking energy: -359.019
Base-Backbone interact. energy: -3.104
local terms energy: -409.239249
where:
bonds (distance) C4'-P energy: -72.455
bonds (distance) P-C4' energy: -80.671
flat angles C4'-P-C4' energy: -89.009
flat angles P-C4'-P energy: -57.084
tors. eta vs tors. theta energy: -110.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1195.056021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.056021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.056021 (E_RNA)
where:
Base-Base interactions energy: -842.538
where: short stacking energy: -346.459
Base-Backbone interact. energy: -1.873
local terms energy: -350.644473
where:
bonds (distance) C4'-P energy: -69.310
bonds (distance) P-C4' energy: -62.331
flat angles C4'-P-C4' energy: -75.594
flat angles P-C4'-P energy: -52.737
tors. eta vs tors. theta energy: -90.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1132.696400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.696400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.696400 (E_RNA)
where:
Base-Base interactions energy: -770.890
where: short stacking energy: -306.548
Base-Backbone interact. energy: 2.794
local terms energy: -364.600988
where:
bonds (distance) C4'-P energy: -79.653
bonds (distance) P-C4' energy: -69.156
flat angles C4'-P-C4' energy: -81.753
flat angles P-C4'-P energy: -45.558
tors. eta vs tors. theta energy: -88.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1071.927237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.927237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.927237 (E_RNA)
where:
Base-Base interactions energy: -707.174
where: short stacking energy: -292.924
Base-Backbone interact. energy: -0.872
local terms energy: -363.881219
where:
bonds (distance) C4'-P energy: -65.095
bonds (distance) P-C4' energy: -70.992
flat angles C4'-P-C4' energy: -84.522
flat angles P-C4'-P energy: -46.721
tors. eta vs tors. theta energy: -96.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -859.724524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.724524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.724524 (E_RNA)
where:
Base-Base interactions energy: -541.859
where: short stacking energy: -258.747
Base-Backbone interact. energy: -1.269
local terms energy: -316.596773
where:
bonds (distance) C4'-P energy: -65.182
bonds (distance) P-C4' energy: -68.781
flat angles C4'-P-C4' energy: -69.325
flat angles P-C4'-P energy: -41.412
tors. eta vs tors. theta energy: -71.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -542.392059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.392059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.392059 (E_RNA)
where:
Base-Base interactions energy: -300.864
where: short stacking energy: -150.157
Base-Backbone interact. energy: -1.014
local terms energy: -240.514012
where:
bonds (distance) C4'-P energy: -72.157
bonds (distance) P-C4' energy: -50.800
flat angles C4'-P-C4' energy: -56.799
flat angles P-C4'-P energy: -45.436
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -415.070854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.070854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.070854 (E_RNA)
where:
Base-Base interactions energy: -187.923
where: short stacking energy: -113.923
Base-Backbone interact. energy: -0.034
local terms energy: -227.113619
where:
bonds (distance) C4'-P energy: -63.623
bonds (distance) P-C4' energy: -64.701
flat angles C4'-P-C4' energy: -75.584
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: 2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -321.098605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.098605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.098605 (E_RNA)
where:
Base-Base interactions energy: -114.451
where: short stacking energy: -103.325
Base-Backbone interact. energy: 2.321
local terms energy: -208.968128
where:
bonds (distance) C4'-P energy: -55.244
bonds (distance) P-C4' energy: -72.408
flat angles C4'-P-C4' energy: -51.029
flat angles P-C4'-P energy: -33.916
tors. eta vs tors. theta energy: 3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1398.671007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.671007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.671007 (E_RNA)
where:
Base-Base interactions energy: -972.349
where: short stacking energy: -399.277
Base-Backbone interact. energy: -1.274
local terms energy: -425.047715
where:
bonds (distance) C4'-P energy: -81.361
bonds (distance) P-C4' energy: -78.037
flat angles C4'-P-C4' energy: -90.105
flat angles P-C4'-P energy: -53.447
tors. eta vs tors. theta energy: -122.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1368.895753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.895753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.895753 (E_RNA)
where:
Base-Base interactions energy: -945.700
where: short stacking energy: -370.818
Base-Backbone interact. energy: -2.463
local terms energy: -420.732565
where:
bonds (distance) C4'-P energy: -80.283
bonds (distance) P-C4' energy: -81.983
flat angles C4'-P-C4' energy: -86.359
flat angles P-C4'-P energy: -55.314
tors. eta vs tors. theta energy: -116.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1316.720566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.720566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.720566 (E_RNA)
where:
Base-Base interactions energy: -898.575
where: short stacking energy: -368.494
Base-Backbone interact. energy: -1.305
local terms energy: -416.841269
where:
bonds (distance) C4'-P energy: -79.043
bonds (distance) P-C4' energy: -81.442
flat angles C4'-P-C4' energy: -80.633
flat angles P-C4'-P energy: -58.663
tors. eta vs tors. theta energy: -117.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1196.841381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.841381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.841381 (E_RNA)
where:
Base-Base interactions energy: -842.822
where: short stacking energy: -362.022
Base-Backbone interact. energy: -0.191
local terms energy: -353.827960
where:
bonds (distance) C4'-P energy: -60.456
bonds (distance) P-C4' energy: -52.971
flat angles C4'-P-C4' energy: -85.957
flat angles P-C4'-P energy: -53.400
tors. eta vs tors. theta energy: -101.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1123.657525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.657525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.657525 (E_RNA)
where:
Base-Base interactions energy: -765.722
where: short stacking energy: -317.566
Base-Backbone interact. energy: 0.290
local terms energy: -358.225440
where:
bonds (distance) C4'-P energy: -70.447
bonds (distance) P-C4' energy: -73.030
flat angles C4'-P-C4' energy: -78.044
flat angles P-C4'-P energy: -48.542
tors. eta vs tors. theta energy: -88.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1038.927750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.927750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.927750 (E_RNA)
where:
Base-Base interactions energy: -705.461
where: short stacking energy: -290.859
Base-Backbone interact. energy: -2.848
local terms energy: -330.619231
where:
bonds (distance) C4'-P energy: -51.463
bonds (distance) P-C4' energy: -65.571
flat angles C4'-P-C4' energy: -76.344
flat angles P-C4'-P energy: -44.441
tors. eta vs tors. theta energy: -92.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -857.576815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.576815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.576815 (E_RNA)
where:
Base-Base interactions energy: -556.618
where: short stacking energy: -247.079
Base-Backbone interact. energy: -1.304
local terms energy: -299.655248
where:
bonds (distance) C4'-P energy: -52.678
bonds (distance) P-C4' energy: -71.647
flat angles C4'-P-C4' energy: -62.912
flat angles P-C4'-P energy: -46.903
tors. eta vs tors. theta energy: -65.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -613.286486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.286486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.286486 (E_RNA)
where:
Base-Base interactions energy: -362.144
where: short stacking energy: -174.763
Base-Backbone interact. energy: 0.471
local terms energy: -251.613398
where:
bonds (distance) C4'-P energy: -56.060
bonds (distance) P-C4' energy: -54.762
flat angles C4'-P-C4' energy: -67.527
flat angles P-C4'-P energy: -41.734
tors. eta vs tors. theta energy: -31.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -412.440033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.440033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.440033 (E_RNA)
where:
Base-Base interactions energy: -189.663
where: short stacking energy: -111.227
Base-Backbone interact. energy: -1.708
local terms energy: -221.069195
where:
bonds (distance) C4'-P energy: -69.725
bonds (distance) P-C4' energy: -79.438
flat angles C4'-P-C4' energy: -63.198
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: 3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -361.943159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.943159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.943159 (E_RNA)
where:
Base-Base interactions energy: -140.993
where: short stacking energy: -122.152
Base-Backbone interact. energy: -2.103
local terms energy: -218.847125
where:
bonds (distance) C4'-P energy: -67.697
bonds (distance) P-C4' energy: -58.295
flat angles C4'-P-C4' energy: -60.086
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1407.149066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.149066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.149066 (E_RNA)
where:
Base-Base interactions energy: -977.077
where: short stacking energy: -394.202
Base-Backbone interact. energy: 1.963
local terms energy: -432.035831
where:
bonds (distance) C4'-P energy: -73.927
bonds (distance) P-C4' energy: -83.163
flat angles C4'-P-C4' energy: -90.956
flat angles P-C4'-P energy: -61.913
tors. eta vs tors. theta energy: -122.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1375.903090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.903090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.903090 (E_RNA)
where:
Base-Base interactions energy: -938.202
where: short stacking energy: -396.714
Base-Backbone interact. energy: -1.701
local terms energy: -435.999955
where:
bonds (distance) C4'-P energy: -84.126
bonds (distance) P-C4' energy: -81.030
flat angles C4'-P-C4' energy: -87.495
flat angles P-C4'-P energy: -58.492
tors. eta vs tors. theta energy: -124.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1298.391275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.391275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.391275 (E_RNA)
where:
Base-Base interactions energy: -876.462
where: short stacking energy: -370.010
Base-Backbone interact. energy: -4.096
local terms energy: -417.833676
where:
bonds (distance) C4'-P energy: -74.639
bonds (distance) P-C4' energy: -86.629
flat angles C4'-P-C4' energy: -89.790
flat angles P-C4'-P energy: -50.527
tors. eta vs tors. theta energy: -116.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1226.164088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.164088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.164088 (E_RNA)
where:
Base-Base interactions energy: -832.381
where: short stacking energy: -335.712
Base-Backbone interact. energy: -1.696
local terms energy: -392.086849
where:
bonds (distance) C4'-P energy: -80.362
bonds (distance) P-C4' energy: -78.524
flat angles C4'-P-C4' energy: -86.844
flat angles P-C4'-P energy: -48.703
tors. eta vs tors. theta energy: -97.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1149.314706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.314706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.314706 (E_RNA)
where:
Base-Base interactions energy: -776.407
where: short stacking energy: -328.358
Base-Backbone interact. energy: -2.028
local terms energy: -370.879157
where:
bonds (distance) C4'-P energy: -65.990
bonds (distance) P-C4' energy: -76.778
flat angles C4'-P-C4' energy: -85.084
flat angles P-C4'-P energy: -50.460
tors. eta vs tors. theta energy: -92.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1076.886867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.886867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.886867 (E_RNA)
where:
Base-Base interactions energy: -721.710
where: short stacking energy: -326.146
Base-Backbone interact. energy: -1.691
local terms energy: -353.485977
where:
bonds (distance) C4'-P energy: -62.866
bonds (distance) P-C4' energy: -80.852
flat angles C4'-P-C4' energy: -60.373
flat angles P-C4'-P energy: -57.181
tors. eta vs tors. theta energy: -92.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -865.726048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.726048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.726048 (E_RNA)
where:
Base-Base interactions energy: -529.963
where: short stacking energy: -237.290
Base-Backbone interact. energy: -0.687
local terms energy: -335.076482
where:
bonds (distance) C4'-P energy: -71.519
bonds (distance) P-C4' energy: -69.240
flat angles C4'-P-C4' energy: -84.244
flat angles P-C4'-P energy: -37.249
tors. eta vs tors. theta energy: -72.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -656.235543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.235543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.235543 (E_RNA)
where:
Base-Base interactions energy: -392.910
where: short stacking energy: -171.349
Base-Backbone interact. energy: 3.829
local terms energy: -267.154002
where:
bonds (distance) C4'-P energy: -75.517
bonds (distance) P-C4' energy: -58.303
flat angles C4'-P-C4' energy: -67.872
flat angles P-C4'-P energy: -32.827
tors. eta vs tors. theta energy: -32.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -438.642036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.642036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.642036 (E_RNA)
where:
Base-Base interactions energy: -213.127
where: short stacking energy: -118.013
Base-Backbone interact. energy: -0.347
local terms energy: -225.167946
where:
bonds (distance) C4'-P energy: -64.845
bonds (distance) P-C4' energy: -62.077
flat angles C4'-P-C4' energy: -62.467
flat angles P-C4'-P energy: -46.643
tors. eta vs tors. theta energy: 10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -314.425274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.425274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.425274 (E_RNA)
where:
Base-Base interactions energy: -122.314
where: short stacking energy: -103.601
Base-Backbone interact. energy: 3.352
local terms energy: -195.463020
where:
bonds (distance) C4'-P energy: -68.656
bonds (distance) P-C4' energy: -56.496
flat angles C4'-P-C4' energy: -40.412
flat angles P-C4'-P energy: -24.795
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1382.980276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.980276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.980276 (E_RNA)
where:
Base-Base interactions energy: -959.300
where: short stacking energy: -388.901
Base-Backbone interact. energy: -3.193
local terms energy: -420.487394
where:
bonds (distance) C4'-P energy: -88.369
bonds (distance) P-C4' energy: -70.194
flat angles C4'-P-C4' energy: -94.162
flat angles P-C4'-P energy: -53.222
tors. eta vs tors. theta energy: -114.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1401.797406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.797406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.797406 (E_RNA)
where:
Base-Base interactions energy: -948.896
where: short stacking energy: -411.734
Base-Backbone interact. energy: 1.455
local terms energy: -454.356506
where:
bonds (distance) C4'-P energy: -80.181
bonds (distance) P-C4' energy: -87.547
flat angles C4'-P-C4' energy: -94.197
flat angles P-C4'-P energy: -58.649
tors. eta vs tors. theta energy: -133.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1299.986361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.986361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.986361 (E_RNA)
where:
Base-Base interactions energy: -895.467
where: short stacking energy: -393.295
Base-Backbone interact. energy: -5.072
local terms energy: -399.446953
where:
bonds (distance) C4'-P energy: -64.370
bonds (distance) P-C4' energy: -69.323
flat angles C4'-P-C4' energy: -91.208
flat angles P-C4'-P energy: -53.341
tors. eta vs tors. theta energy: -121.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1218.602697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.602697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.602697 (E_RNA)
where:
Base-Base interactions energy: -848.222
where: short stacking energy: -357.721
Base-Backbone interact. energy: 1.373
local terms energy: -371.753866
where:
bonds (distance) C4'-P energy: -75.382
bonds (distance) P-C4' energy: -67.664
flat angles C4'-P-C4' energy: -71.660
flat angles P-C4'-P energy: -52.315
tors. eta vs tors. theta energy: -104.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1140.483812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.483812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.483812 (E_RNA)
where:
Base-Base interactions energy: -761.449
where: short stacking energy: -332.546
Base-Backbone interact. energy: -0.257
local terms energy: -378.777557
where:
bonds (distance) C4'-P energy: -65.552
bonds (distance) P-C4' energy: -75.917
flat angles C4'-P-C4' energy: -86.583
flat angles P-C4'-P energy: -55.310
tors. eta vs tors. theta energy: -95.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1048.878533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.878533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.878533 (E_RNA)
where:
Base-Base interactions energy: -696.946
where: short stacking energy: -295.863
Base-Backbone interact. energy: -3.038
local terms energy: -348.894867
where:
bonds (distance) C4'-P energy: -55.720
bonds (distance) P-C4' energy: -74.631
flat angles C4'-P-C4' energy: -76.106
flat angles P-C4'-P energy: -60.715
tors. eta vs tors. theta energy: -81.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -856.412883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.412883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.412883 (E_RNA)
where:
Base-Base interactions energy: -549.998
where: short stacking energy: -239.707
Base-Backbone interact. energy: -0.600
local terms energy: -305.814694
where:
bonds (distance) C4'-P energy: -57.912
bonds (distance) P-C4' energy: -71.051
flat angles C4'-P-C4' energy: -70.124
flat angles P-C4'-P energy: -37.073
tors. eta vs tors. theta energy: -69.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -730.806947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.806947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.806947 (E_RNA)
where:
Base-Base interactions energy: -444.620
where: short stacking energy: -175.440
Base-Backbone interact. energy: -1.107
local terms energy: -285.079746
where:
bonds (distance) C4'-P energy: -73.234
bonds (distance) P-C4' energy: -67.137
flat angles C4'-P-C4' energy: -62.942
flat angles P-C4'-P energy: -40.491
tors. eta vs tors. theta energy: -41.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -422.312220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.312220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.312220 (E_RNA)
where:
Base-Base interactions energy: -201.554
where: short stacking energy: -119.664
Base-Backbone interact. energy: -1.241
local terms energy: -219.516996
where:
bonds (distance) C4'-P energy: -55.648
bonds (distance) P-C4' energy: -63.532
flat angles C4'-P-C4' energy: -66.200
flat angles P-C4'-P energy: -32.371
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -331.232040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.232040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.232040 (E_RNA)
where:
Base-Base interactions energy: -113.141
where: short stacking energy: -86.322
Base-Backbone interact. energy: -0.789
local terms energy: -217.302063
where:
bonds (distance) C4'-P energy: -60.070
bonds (distance) P-C4' energy: -81.801
flat angles C4'-P-C4' energy: -49.737
flat angles P-C4'-P energy: -43.941
tors. eta vs tors. theta energy: 18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1443.305055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.305055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.305055 (E_RNA)
where:
Base-Base interactions energy: -1000.863
where: short stacking energy: -422.584
Base-Backbone interact. energy: -1.514
local terms energy: -440.928215
where:
bonds (distance) C4'-P energy: -84.605
bonds (distance) P-C4' energy: -68.877
flat angles C4'-P-C4' energy: -94.698
flat angles P-C4'-P energy: -64.634
tors. eta vs tors. theta energy: -128.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1364.704640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.704640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.704640 (E_RNA)
where:
Base-Base interactions energy: -933.196
where: short stacking energy: -371.137
Base-Backbone interact. energy: -2.271
local terms energy: -429.237221
where:
bonds (distance) C4'-P energy: -77.106
bonds (distance) P-C4' energy: -76.750
flat angles C4'-P-C4' energy: -83.857
flat angles P-C4'-P energy: -69.380
tors. eta vs tors. theta energy: -122.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1303.439113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.439113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.439113 (E_RNA)
where:
Base-Base interactions energy: -909.116
where: short stacking energy: -364.566
Base-Backbone interact. energy: -2.355
local terms energy: -391.967216
where:
bonds (distance) C4'-P energy: -61.892
bonds (distance) P-C4' energy: -71.009
flat angles C4'-P-C4' energy: -88.769
flat angles P-C4'-P energy: -60.323
tors. eta vs tors. theta energy: -109.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1194.936658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.936658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.936658 (E_RNA)
where:
Base-Base interactions energy: -810.580
where: short stacking energy: -351.818
Base-Backbone interact. energy: -1.248
local terms energy: -383.108540
where:
bonds (distance) C4'-P energy: -67.684
bonds (distance) P-C4' energy: -82.464
flat angles C4'-P-C4' energy: -84.852
flat angles P-C4'-P energy: -51.024
tors. eta vs tors. theta energy: -97.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1173.214403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.214403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.214403 (E_RNA)
where:
Base-Base interactions energy: -797.992
where: short stacking energy: -344.725
Base-Backbone interact. energy: -1.105
local terms energy: -374.117210
where:
bonds (distance) C4'-P energy: -63.878
bonds (distance) P-C4' energy: -72.048
flat angles C4'-P-C4' energy: -76.706
flat angles P-C4'-P energy: -58.209
tors. eta vs tors. theta energy: -103.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1060.577768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.577768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.577768 (E_RNA)
where:
Base-Base interactions energy: -688.262
where: short stacking energy: -318.586
Base-Backbone interact. energy: -3.601
local terms energy: -368.715048
where:
bonds (distance) C4'-P energy: -66.705
bonds (distance) P-C4' energy: -70.198
flat angles C4'-P-C4' energy: -81.639
flat angles P-C4'-P energy: -51.512
tors. eta vs tors. theta energy: -98.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -839.932283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.932283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.932283 (E_RNA)
where:
Base-Base interactions energy: -524.929
where: short stacking energy: -245.473
Base-Backbone interact. energy: -1.097
local terms energy: -313.906346
where:
bonds (distance) C4'-P energy: -61.340
bonds (distance) P-C4' energy: -63.039
flat angles C4'-P-C4' energy: -75.252
flat angles P-C4'-P energy: -47.526
tors. eta vs tors. theta energy: -66.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -664.480161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.480161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.480161 (E_RNA)
where:
Base-Base interactions energy: -381.561
where: short stacking energy: -185.132
Base-Backbone interact. energy: -2.315
local terms energy: -280.604528
where:
bonds (distance) C4'-P energy: -70.013
bonds (distance) P-C4' energy: -74.005
flat angles C4'-P-C4' energy: -53.009
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: -36.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -432.539409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.539409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.539409 (E_RNA)
where:
Base-Base interactions energy: -203.080
where: short stacking energy: -121.618
Base-Backbone interact. energy: -0.348
local terms energy: -229.111748
where:
bonds (distance) C4'-P energy: -61.676
bonds (distance) P-C4' energy: -69.993
flat angles C4'-P-C4' energy: -62.873
flat angles P-C4'-P energy: -39.314
tors. eta vs tors. theta energy: 4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -316.113740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.113740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.113740 (E_RNA)
where:
Base-Base interactions energy: -109.560
where: short stacking energy: -85.097
Base-Backbone interact. energy: 10.200
local terms energy: -216.753187
where:
bonds (distance) C4'-P energy: -75.811
bonds (distance) P-C4' energy: -81.209
flat angles C4'-P-C4' energy: -50.192
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: 6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1427.833922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.833922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.833922 (E_RNA)
where:
Base-Base interactions energy: -990.063
where: short stacking energy: -426.464
Base-Backbone interact. energy: -1.138
local terms energy: -436.633112
where:
bonds (distance) C4'-P energy: -73.723
bonds (distance) P-C4' energy: -71.774
flat angles C4'-P-C4' energy: -99.505
flat angles P-C4'-P energy: -58.581
tors. eta vs tors. theta energy: -133.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1349.457750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.457750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.457750 (E_RNA)
where:
Base-Base interactions energy: -934.702
where: short stacking energy: -382.070
Base-Backbone interact. energy: -0.857
local terms energy: -413.898858
where:
bonds (distance) C4'-P energy: -70.956
bonds (distance) P-C4' energy: -75.761
flat angles C4'-P-C4' energy: -100.465
flat angles P-C4'-P energy: -51.512
tors. eta vs tors. theta energy: -115.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1305.049459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.049459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.049459 (E_RNA)
where:
Base-Base interactions energy: -888.180
where: short stacking energy: -367.427
Base-Backbone interact. energy: 0.472
local terms energy: -417.341846
where:
bonds (distance) C4'-P energy: -80.748
bonds (distance) P-C4' energy: -78.938
flat angles C4'-P-C4' energy: -93.793
flat angles P-C4'-P energy: -58.580
tors. eta vs tors. theta energy: -105.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1227.459831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.459831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.459831 (E_RNA)
where:
Base-Base interactions energy: -842.508
where: short stacking energy: -341.354
Base-Backbone interact. energy: -1.610
local terms energy: -383.342020
where:
bonds (distance) C4'-P energy: -73.462
bonds (distance) P-C4' energy: -75.009
flat angles C4'-P-C4' energy: -82.395
flat angles P-C4'-P energy: -50.682
tors. eta vs tors. theta energy: -101.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1158.932463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.932463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.932463 (E_RNA)
where:
Base-Base interactions energy: -805.107
where: short stacking energy: -339.961
Base-Backbone interact. energy: -0.948
local terms energy: -352.877896
where:
bonds (distance) C4'-P energy: -65.538
bonds (distance) P-C4' energy: -48.943
flat angles C4'-P-C4' energy: -88.165
flat angles P-C4'-P energy: -49.576
tors. eta vs tors. theta energy: -100.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1044.341756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.341756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.341756 (E_RNA)
where:
Base-Base interactions energy: -702.656
where: short stacking energy: -312.508
Base-Backbone interact. energy: -1.906
local terms energy: -339.779026
where:
bonds (distance) C4'-P energy: -58.097
bonds (distance) P-C4' energy: -72.559
flat angles C4'-P-C4' energy: -86.617
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -87.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -839.568464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.568464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.568464 (E_RNA)
where:
Base-Base interactions energy: -531.676
where: short stacking energy: -229.470
Base-Backbone interact. energy: -0.906
local terms energy: -306.987146
where:
bonds (distance) C4'-P energy: -49.734
bonds (distance) P-C4' energy: -76.112
flat angles C4'-P-C4' energy: -74.146
flat angles P-C4'-P energy: -54.487
tors. eta vs tors. theta energy: -52.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -635.587630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.587630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.587630 (E_RNA)
where:
Base-Base interactions energy: -362.477
where: short stacking energy: -186.936
Base-Backbone interact. energy: -1.450
local terms energy: -271.661150
where:
bonds (distance) C4'-P energy: -66.430
bonds (distance) P-C4' energy: -72.113
flat angles C4'-P-C4' energy: -67.929
flat angles P-C4'-P energy: -36.532
tors. eta vs tors. theta energy: -28.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -456.642493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.642493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.642493 (E_RNA)
where:
Base-Base interactions energy: -216.462
where: short stacking energy: -129.920
Base-Backbone interact. energy: -1.193
local terms energy: -238.987236
where:
bonds (distance) C4'-P energy: -75.880
bonds (distance) P-C4' energy: -59.983
flat angles C4'-P-C4' energy: -66.053
flat angles P-C4'-P energy: -33.099
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -318.846947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.846947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.846947 (E_RNA)
where:
Base-Base interactions energy: -122.508
where: short stacking energy: -96.256
Base-Backbone interact. energy: -0.226
local terms energy: -196.113634
where:
bonds (distance) C4'-P energy: -63.613
bonds (distance) P-C4' energy: -72.978
flat angles C4'-P-C4' energy: -38.318
flat angles P-C4'-P energy: -31.837
tors. eta vs tors. theta energy: 10.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1420.336994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.336994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.336994 (E_RNA)
where:
Base-Base interactions energy: -977.717
where: short stacking energy: -392.616
Base-Backbone interact. energy: -0.899
local terms energy: -441.720510
where:
bonds (distance) C4'-P energy: -80.636
bonds (distance) P-C4' energy: -85.571
flat angles C4'-P-C4' energy: -92.926
flat angles P-C4'-P energy: -60.663
tors. eta vs tors. theta energy: -121.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1356.722073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.722073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.722073 (E_RNA)
where:
Base-Base interactions energy: -944.327
where: short stacking energy: -396.041
Base-Backbone interact. energy: -1.924
local terms energy: -410.471785
where:
bonds (distance) C4'-P energy: -66.925
bonds (distance) P-C4' energy: -73.629
flat angles C4'-P-C4' energy: -89.580
flat angles P-C4'-P energy: -62.011
tors. eta vs tors. theta energy: -118.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1310.791500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.791500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.791500 (E_RNA)
where:
Base-Base interactions energy: -910.934
where: short stacking energy: -383.768
Base-Backbone interact. energy: 2.392
local terms energy: -402.249084
where:
bonds (distance) C4'-P energy: -64.530
bonds (distance) P-C4' energy: -80.230
flat angles C4'-P-C4' energy: -87.246
flat angles P-C4'-P energy: -48.361
tors. eta vs tors. theta energy: -121.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1228.228696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.228696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.228696 (E_RNA)
where:
Base-Base interactions energy: -840.078
where: short stacking energy: -352.047
Base-Backbone interact. energy: 2.381
local terms energy: -390.531513
where:
bonds (distance) C4'-P energy: -75.502
bonds (distance) P-C4' energy: -74.638
flat angles C4'-P-C4' energy: -77.531
flat angles P-C4'-P energy: -53.503
tors. eta vs tors. theta energy: -109.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1114.100528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.100528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.100528 (E_RNA)
where:
Base-Base interactions energy: -742.171
where: short stacking energy: -312.284
Base-Backbone interact. energy: -2.597
local terms energy: -369.332527
where:
bonds (distance) C4'-P energy: -62.695
bonds (distance) P-C4' energy: -67.014
flat angles C4'-P-C4' energy: -82.459
flat angles P-C4'-P energy: -58.944
tors. eta vs tors. theta energy: -98.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1107.349122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.349122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.349122 (E_RNA)
where:
Base-Base interactions energy: -745.582
where: short stacking energy: -301.028
Base-Backbone interact. energy: -0.052
local terms energy: -361.715752
where:
bonds (distance) C4'-P energy: -68.164
bonds (distance) P-C4' energy: -84.404
flat angles C4'-P-C4' energy: -63.319
flat angles P-C4'-P energy: -53.949
tors. eta vs tors. theta energy: -91.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -847.334020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.334020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.334020 (E_RNA)
where:
Base-Base interactions energy: -555.505
where: short stacking energy: -234.147
Base-Backbone interact. energy: -1.860
local terms energy: -289.969108
where:
bonds (distance) C4'-P energy: -44.508
bonds (distance) P-C4' energy: -76.270
flat angles C4'-P-C4' energy: -71.887
flat angles P-C4'-P energy: -46.642
tors. eta vs tors. theta energy: -50.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -636.128244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.128244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.128244 (E_RNA)
where:
Base-Base interactions energy: -377.275
where: short stacking energy: -171.840
Base-Backbone interact. energy: -0.640
local terms energy: -258.213157
where:
bonds (distance) C4'-P energy: -65.605
bonds (distance) P-C4' energy: -59.121
flat angles C4'-P-C4' energy: -64.248
flat angles P-C4'-P energy: -39.091
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -408.785174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.785174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.785174 (E_RNA)
where:
Base-Base interactions energy: -186.135
where: short stacking energy: -92.792
Base-Backbone interact. energy: 0.085
local terms energy: -222.735504
where:
bonds (distance) C4'-P energy: -63.196
bonds (distance) P-C4' energy: -67.746
flat angles C4'-P-C4' energy: -50.277
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -310.153525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.153525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.153525 (E_RNA)
where:
Base-Base interactions energy: -116.176
where: short stacking energy: -95.669
Base-Backbone interact. energy: -1.721
local terms energy: -192.256336
where:
bonds (distance) C4'-P energy: -73.051
bonds (distance) P-C4' energy: -64.321
flat angles C4'-P-C4' energy: -34.697
flat angles P-C4'-P energy: -44.877
tors. eta vs tors. theta energy: 24.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1415.392409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.392409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.392409 (E_RNA)
where:
Base-Base interactions energy: -973.673
where: short stacking energy: -391.760
Base-Backbone interact. energy: -0.917
local terms energy: -440.802445
where:
bonds (distance) C4'-P energy: -80.125
bonds (distance) P-C4' energy: -79.823
flat angles C4'-P-C4' energy: -94.449
flat angles P-C4'-P energy: -63.206
tors. eta vs tors. theta energy: -123.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1368.490388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.490388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.490388 (E_RNA)
where:
Base-Base interactions energy: -963.874
where: short stacking energy: -393.489
Base-Backbone interact. energy: -1.008
local terms energy: -403.608659
where:
bonds (distance) C4'-P energy: -69.424
bonds (distance) P-C4' energy: -73.046
flat angles C4'-P-C4' energy: -91.118
flat angles P-C4'-P energy: -51.082
tors. eta vs tors. theta energy: -118.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1314.712370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.712370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.712370 (E_RNA)
where:
Base-Base interactions energy: -913.697
where: short stacking energy: -382.722
Base-Backbone interact. energy: -3.367
local terms energy: -397.647925
where:
bonds (distance) C4'-P energy: -68.570
bonds (distance) P-C4' energy: -74.489
flat angles C4'-P-C4' energy: -81.818
flat angles P-C4'-P energy: -50.870
tors. eta vs tors. theta energy: -121.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1222.353509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.353509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.353509 (E_RNA)
where:
Base-Base interactions energy: -844.372
where: short stacking energy: -367.230
Base-Backbone interact. energy: 2.490
local terms energy: -380.471424
where:
bonds (distance) C4'-P energy: -62.520
bonds (distance) P-C4' energy: -73.237
flat angles C4'-P-C4' energy: -87.011
flat angles P-C4'-P energy: -55.952
tors. eta vs tors. theta energy: -101.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1123.182052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.182052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.182052 (E_RNA)
where:
Base-Base interactions energy: -737.191
where: short stacking energy: -324.544
Base-Backbone interact. energy: -1.543
local terms energy: -384.448427
where:
bonds (distance) C4'-P energy: -77.993
bonds (distance) P-C4' energy: -74.984
flat angles C4'-P-C4' energy: -87.968
flat angles P-C4'-P energy: -49.622
tors. eta vs tors. theta energy: -93.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1074.301179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.301179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.301179 (E_RNA)
where:
Base-Base interactions energy: -718.383
where: short stacking energy: -306.596
Base-Backbone interact. energy: -2.057
local terms energy: -353.861770
where:
bonds (distance) C4'-P energy: -68.270
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -77.468
flat angles P-C4'-P energy: -54.017
tors. eta vs tors. theta energy: -94.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -780.433191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.433191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.433191 (E_RNA)
where:
Base-Base interactions energy: -476.705
where: short stacking energy: -218.954
Base-Backbone interact. energy: 2.198
local terms energy: -305.926267
where:
bonds (distance) C4'-P energy: -67.952
bonds (distance) P-C4' energy: -70.289
flat angles C4'-P-C4' energy: -72.664
flat angles P-C4'-P energy: -43.704
tors. eta vs tors. theta energy: -51.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -670.089264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.089264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.089264 (E_RNA)
where:
Base-Base interactions energy: -395.892
where: short stacking energy: -204.796
Base-Backbone interact. energy: 0.339
local terms energy: -274.535762
where:
bonds (distance) C4'-P energy: -58.473
bonds (distance) P-C4' energy: -61.062
flat angles C4'-P-C4' energy: -69.178
flat angles P-C4'-P energy: -37.577
tors. eta vs tors. theta energy: -48.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -472.743517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.743517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.743517 (E_RNA)
where:
Base-Base interactions energy: -232.318
where: short stacking energy: -133.227
Base-Backbone interact. energy: -2.367
local terms energy: -238.058035
where:
bonds (distance) C4'-P energy: -58.746
bonds (distance) P-C4' energy: -73.548
flat angles C4'-P-C4' energy: -58.470
flat angles P-C4'-P energy: -40.613
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -310.516492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.516492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.516492 (E_RNA)
where:
Base-Base interactions energy: -97.543
where: short stacking energy: -85.164
Base-Backbone interact. energy: 0.162
local terms energy: -213.135817
where:
bonds (distance) C4'-P energy: -67.725
bonds (distance) P-C4' energy: -61.323
flat angles C4'-P-C4' energy: -55.099
flat angles P-C4'-P energy: -27.185
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1421.560159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.560159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.560159 (E_RNA)
where:
Base-Base interactions energy: -982.738
where: short stacking energy: -411.968
Base-Backbone interact. energy: -2.931
local terms energy: -435.891263
where:
bonds (distance) C4'-P energy: -76.286
bonds (distance) P-C4' energy: -81.814
flat angles C4'-P-C4' energy: -85.930
flat angles P-C4'-P energy: -60.909
tors. eta vs tors. theta energy: -130.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1366.983967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.983967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.983967 (E_RNA)
where:
Base-Base interactions energy: -951.845
where: short stacking energy: -395.318
Base-Backbone interact. energy: -0.478
local terms energy: -414.661008
where:
bonds (distance) C4'-P energy: -74.096
bonds (distance) P-C4' energy: -82.127
flat angles C4'-P-C4' energy: -81.564
flat angles P-C4'-P energy: -57.284
tors. eta vs tors. theta energy: -119.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1328.272144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.272144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.272144 (E_RNA)
where:
Base-Base interactions energy: -897.110
where: short stacking energy: -375.060
Base-Backbone interact. energy: -3.035
local terms energy: -428.127356
where:
bonds (distance) C4'-P energy: -77.084
bonds (distance) P-C4' energy: -79.377
flat angles C4'-P-C4' energy: -87.493
flat angles P-C4'-P energy: -63.171
tors. eta vs tors. theta energy: -121.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1184.434985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.434985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.434985 (E_RNA)
where:
Base-Base interactions energy: -795.820
where: short stacking energy: -328.806
Base-Backbone interact. energy: -2.430
local terms energy: -386.185492
where:
bonds (distance) C4'-P energy: -77.228
bonds (distance) P-C4' energy: -74.246
flat angles C4'-P-C4' energy: -82.696
flat angles P-C4'-P energy: -57.686
tors. eta vs tors. theta energy: -94.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1101.206526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.206526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.206526 (E_RNA)
where:
Base-Base interactions energy: -711.639
where: short stacking energy: -311.711
Base-Backbone interact. energy: -2.396
local terms energy: -387.171349
where:
bonds (distance) C4'-P energy: -80.823
bonds (distance) P-C4' energy: -62.708
flat angles C4'-P-C4' energy: -83.678
flat angles P-C4'-P energy: -62.398
tors. eta vs tors. theta energy: -97.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1090.149537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.149537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.149537 (E_RNA)
where:
Base-Base interactions energy: -753.145
where: short stacking energy: -321.718
Base-Backbone interact. energy: -0.724
local terms energy: -336.281164
where:
bonds (distance) C4'-P energy: -63.672
bonds (distance) P-C4' energy: -71.705
flat angles C4'-P-C4' energy: -72.654
flat angles P-C4'-P energy: -44.898
tors. eta vs tors. theta energy: -83.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -767.699063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.699063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.699063 (E_RNA)
where:
Base-Base interactions energy: -452.342
where: short stacking energy: -216.851
Base-Backbone interact. energy: -1.412
local terms energy: -313.945897
where:
bonds (distance) C4'-P energy: -62.948
bonds (distance) P-C4' energy: -80.455
flat angles C4'-P-C4' energy: -78.623
flat angles P-C4'-P energy: -37.786
tors. eta vs tors. theta energy: -54.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -671.918324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.918324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.918324 (E_RNA)
where:
Base-Base interactions energy: -403.631
where: short stacking energy: -222.216
Base-Backbone interact. energy: -1.201
local terms energy: -267.086326
where:
bonds (distance) C4'-P energy: -56.387
bonds (distance) P-C4' energy: -68.099
flat angles C4'-P-C4' energy: -68.640
flat angles P-C4'-P energy: -30.247
tors. eta vs tors. theta energy: -43.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -407.006524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.006524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.006524 (E_RNA)
where:
Base-Base interactions energy: -200.650
where: short stacking energy: -129.211
Base-Backbone interact. energy: -2.897
local terms energy: -203.459602
where:
bonds (distance) C4'-P energy: -55.032
bonds (distance) P-C4' energy: -67.790
flat angles C4'-P-C4' energy: -43.114
flat angles P-C4'-P energy: -35.468
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -339.327773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.327773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.327773 (E_RNA)
where:
Base-Base interactions energy: -143.717
where: short stacking energy: -134.895
Base-Backbone interact. energy: -0.132
local terms energy: -195.478728
where:
bonds (distance) C4'-P energy: -57.972
bonds (distance) P-C4' energy: -64.713
flat angles C4'-P-C4' energy: -31.664
flat angles P-C4'-P energy: -30.953
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1410.360631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.360631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.360631 (E_RNA)
where:
Base-Base interactions energy: -967.316
where: short stacking energy: -405.312
Base-Backbone interact. energy: -1.664
local terms energy: -441.379891
where:
bonds (distance) C4'-P energy: -85.727
bonds (distance) P-C4' energy: -80.289
flat angles C4'-P-C4' energy: -87.177
flat angles P-C4'-P energy: -58.495
tors. eta vs tors. theta energy: -129.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1360.913214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.913214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.913214 (E_RNA)
where:
Base-Base interactions energy: -944.930
where: short stacking energy: -387.111
Base-Backbone interact. energy: -0.553
local terms energy: -415.429611
where:
bonds (distance) C4'-P energy: -64.489
bonds (distance) P-C4' energy: -86.302
flat angles C4'-P-C4' energy: -87.025
flat angles P-C4'-P energy: -52.783
tors. eta vs tors. theta energy: -124.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1299.105753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.105753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.105753 (E_RNA)
where:
Base-Base interactions energy: -896.713
where: short stacking energy: -378.110
Base-Backbone interact. energy: -0.234
local terms energy: -402.158825
where:
bonds (distance) C4'-P energy: -69.860
bonds (distance) P-C4' energy: -71.214
flat angles C4'-P-C4' energy: -86.009
flat angles P-C4'-P energy: -58.014
tors. eta vs tors. theta energy: -117.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1185.735362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.735362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.735362 (E_RNA)
where:
Base-Base interactions energy: -824.711
where: short stacking energy: -340.176
Base-Backbone interact. energy: 0.155
local terms energy: -361.179634
where:
bonds (distance) C4'-P energy: -67.714
bonds (distance) P-C4' energy: -67.049
flat angles C4'-P-C4' energy: -76.956
flat angles P-C4'-P energy: -55.072
tors. eta vs tors. theta energy: -94.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1128.039576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.039576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.039576 (E_RNA)
where:
Base-Base interactions energy: -753.927
where: short stacking energy: -311.383
Base-Backbone interact. energy: -0.204
local terms energy: -373.907655
where:
bonds (distance) C4'-P energy: -81.388
bonds (distance) P-C4' energy: -70.033
flat angles C4'-P-C4' energy: -83.947
flat angles P-C4'-P energy: -53.350
tors. eta vs tors. theta energy: -85.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1094.819750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.819750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.819750 (E_RNA)
where:
Base-Base interactions energy: -729.982
where: short stacking energy: -326.607
Base-Backbone interact. energy: 0.867
local terms energy: -365.705271
where:
bonds (distance) C4'-P energy: -69.019
bonds (distance) P-C4' energy: -71.779
flat angles C4'-P-C4' energy: -77.832
flat angles P-C4'-P energy: -56.475
tors. eta vs tors. theta energy: -90.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -793.640370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.640370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.640370 (E_RNA)
where:
Base-Base interactions energy: -495.506
where: short stacking energy: -213.182
Base-Backbone interact. energy: -0.851
local terms energy: -297.284038
where:
bonds (distance) C4'-P energy: -66.277
bonds (distance) P-C4' energy: -74.654
flat angles C4'-P-C4' energy: -66.101
flat angles P-C4'-P energy: -47.343
tors. eta vs tors. theta energy: -42.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -646.679312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.679312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.679312 (E_RNA)
where:
Base-Base interactions energy: -352.796
where: short stacking energy: -179.125
Base-Backbone interact. energy: -1.660
local terms energy: -292.223147
where:
bonds (distance) C4'-P energy: -60.761
bonds (distance) P-C4' energy: -78.525
flat angles C4'-P-C4' energy: -73.523
flat angles P-C4'-P energy: -25.823
tors. eta vs tors. theta energy: -53.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -408.160024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.160024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.160024 (E_RNA)
where:
Base-Base interactions energy: -196.014
where: short stacking energy: -111.703
Base-Backbone interact. energy: 3.533
local terms energy: -215.679046
where:
bonds (distance) C4'-P energy: -76.265
bonds (distance) P-C4' energy: -71.009
flat angles C4'-P-C4' energy: -54.647
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: 11.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -305.059611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.059611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.059611 (E_RNA)
where:
Base-Base interactions energy: -100.471
where: short stacking energy: -80.586
Base-Backbone interact. energy: 1.746
local terms energy: -206.333925
where:
bonds (distance) C4'-P energy: -73.180
bonds (distance) P-C4' energy: -73.514
flat angles C4'-P-C4' energy: -43.504
flat angles P-C4'-P energy: -33.271
tors. eta vs tors. theta energy: 17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1423.250614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.250614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.250614 (E_RNA)
where:
Base-Base interactions energy: -979.326
where: short stacking energy: -377.174
Base-Backbone interact. energy: -2.884
local terms energy: -441.040469
where:
bonds (distance) C4'-P energy: -81.139
bonds (distance) P-C4' energy: -80.915
flat angles C4'-P-C4' energy: -92.630
flat angles P-C4'-P energy: -62.378
tors. eta vs tors. theta energy: -123.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1350.671298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.671298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.671298 (E_RNA)
where:
Base-Base interactions energy: -931.821
where: short stacking energy: -394.405
Base-Backbone interact. energy: -1.725
local terms energy: -417.125461
where:
bonds (distance) C4'-P energy: -77.145
bonds (distance) P-C4' energy: -76.526
flat angles C4'-P-C4' energy: -82.787
flat angles P-C4'-P energy: -57.301
tors. eta vs tors. theta energy: -123.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1308.487770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.487770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.487770 (E_RNA)
where:
Base-Base interactions energy: -925.651
where: short stacking energy: -365.044
Base-Backbone interact. energy: -2.312
local terms energy: -380.524633
where:
bonds (distance) C4'-P energy: -57.969
bonds (distance) P-C4' energy: -72.733
flat angles C4'-P-C4' energy: -85.694
flat angles P-C4'-P energy: -48.029
tors. eta vs tors. theta energy: -116.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1213.711846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.711846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.711846 (E_RNA)
where:
Base-Base interactions energy: -827.149
where: short stacking energy: -341.750
Base-Backbone interact. energy: -0.417
local terms energy: -386.146002
where:
bonds (distance) C4'-P energy: -62.846
bonds (distance) P-C4' energy: -80.177
flat angles C4'-P-C4' energy: -83.040
flat angles P-C4'-P energy: -55.675
tors. eta vs tors. theta energy: -104.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1157.153833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.153833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.153833 (E_RNA)
where:
Base-Base interactions energy: -794.895
where: short stacking energy: -343.495
Base-Backbone interact. energy: -1.227
local terms energy: -361.031600
where:
bonds (distance) C4'-P energy: -69.984
bonds (distance) P-C4' energy: -75.022
flat angles C4'-P-C4' energy: -71.883
flat angles P-C4'-P energy: -43.336
tors. eta vs tors. theta energy: -100.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1071.942941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.942941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.942941 (E_RNA)
where:
Base-Base interactions energy: -730.397
where: short stacking energy: -326.959
Base-Backbone interact. energy: -1.935
local terms energy: -339.611661
where:
bonds (distance) C4'-P energy: -50.957
bonds (distance) P-C4' energy: -69.641
flat angles C4'-P-C4' energy: -87.112
flat angles P-C4'-P energy: -42.243
tors. eta vs tors. theta energy: -89.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -782.445175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.445175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.445175 (E_RNA)
where:
Base-Base interactions energy: -460.673
where: short stacking energy: -227.705
Base-Backbone interact. energy: -0.452
local terms energy: -321.320679
where:
bonds (distance) C4'-P energy: -68.638
bonds (distance) P-C4' energy: -70.870
flat angles C4'-P-C4' energy: -76.288
flat angles P-C4'-P energy: -44.003
tors. eta vs tors. theta energy: -61.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -674.759100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.759100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.759100 (E_RNA)
where:
Base-Base interactions energy: -406.589
where: short stacking energy: -208.981
Base-Backbone interact. energy: -0.111
local terms energy: -268.058912
where:
bonds (distance) C4'-P energy: -50.189
bonds (distance) P-C4' energy: -69.649
flat angles C4'-P-C4' energy: -71.984
flat angles P-C4'-P energy: -39.749
tors. eta vs tors. theta energy: -36.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -429.813504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.813504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.813504 (E_RNA)
where:
Base-Base interactions energy: -226.569
where: short stacking energy: -125.659
Base-Backbone interact. energy: -1.026
local terms energy: -202.218357
where:
bonds (distance) C4'-P energy: -57.702
bonds (distance) P-C4' energy: -61.762
flat angles C4'-P-C4' energy: -32.727
flat angles P-C4'-P energy: -40.236
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -318.087660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.087660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.087660 (E_RNA)
where:
Base-Base interactions energy: -94.991
where: short stacking energy: -83.788
Base-Backbone interact. energy: -0.470
local terms energy: -222.626671
where:
bonds (distance) C4'-P energy: -72.381
bonds (distance) P-C4' energy: -62.178
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -39.901
tors. eta vs tors. theta energy: 7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1390.105040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.105040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.105040 (E_RNA)
where:
Base-Base interactions energy: -953.201
where: short stacking energy: -406.957
Base-Backbone interact. energy: -1.915
local terms energy: -434.988263
where:
bonds (distance) C4'-P energy: -73.707
bonds (distance) P-C4' energy: -78.361
flat angles C4'-P-C4' energy: -89.798
flat angles P-C4'-P energy: -70.218
tors. eta vs tors. theta energy: -122.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1352.625529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.625529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.625529 (E_RNA)
where:
Base-Base interactions energy: -936.352
where: short stacking energy: -381.109
Base-Backbone interact. energy: -0.581
local terms energy: -415.692577
where:
bonds (distance) C4'-P energy: -81.514
bonds (distance) P-C4' energy: -80.186
flat angles C4'-P-C4' energy: -83.076
flat angles P-C4'-P energy: -55.067
tors. eta vs tors. theta energy: -115.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1306.121359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.121359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.121359 (E_RNA)
where:
Base-Base interactions energy: -905.929
where: short stacking energy: -381.405
Base-Backbone interact. energy: -1.972
local terms energy: -398.220673
where:
bonds (distance) C4'-P energy: -55.814
bonds (distance) P-C4' energy: -83.930
flat angles C4'-P-C4' energy: -89.775
flat angles P-C4'-P energy: -49.681
tors. eta vs tors. theta energy: -119.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1222.054095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.054095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.054095 (E_RNA)
where:
Base-Base interactions energy: -832.933
where: short stacking energy: -354.676
Base-Backbone interact. energy: -2.195
local terms energy: -386.926089
where:
bonds (distance) C4'-P energy: -79.877
bonds (distance) P-C4' energy: -75.123
flat angles C4'-P-C4' energy: -88.695
flat angles P-C4'-P energy: -44.779
tors. eta vs tors. theta energy: -98.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1173.464532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.464532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.464532 (E_RNA)
where:
Base-Base interactions energy: -813.068
where: short stacking energy: -345.613
Base-Backbone interact. energy: 0.248
local terms energy: -360.645374
where:
bonds (distance) C4'-P energy: -61.775
bonds (distance) P-C4' energy: -73.156
flat angles C4'-P-C4' energy: -72.088
flat angles P-C4'-P energy: -57.328
tors. eta vs tors. theta energy: -96.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1031.414676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.414676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.414676 (E_RNA)
where:
Base-Base interactions energy: -690.893
where: short stacking energy: -280.853
Base-Backbone interact. energy: -0.850
local terms energy: -339.671901
where:
bonds (distance) C4'-P energy: -76.023
bonds (distance) P-C4' energy: -77.406
flat angles C4'-P-C4' energy: -63.305
flat angles P-C4'-P energy: -47.114
tors. eta vs tors. theta energy: -75.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -787.418060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.418060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.418060 (E_RNA)
where:
Base-Base interactions energy: -491.037
where: short stacking energy: -215.524
Base-Backbone interact. energy: -1.251
local terms energy: -295.130250
where:
bonds (distance) C4'-P energy: -52.678
bonds (distance) P-C4' energy: -74.142
flat angles C4'-P-C4' energy: -74.563
flat angles P-C4'-P energy: -56.932
tors. eta vs tors. theta energy: -36.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -652.878008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.878008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.878008 (E_RNA)
where:
Base-Base interactions energy: -387.539
where: short stacking energy: -184.759
Base-Backbone interact. energy: 0.909
local terms energy: -266.248283
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -72.674
flat angles C4'-P-C4' energy: -65.069
flat angles P-C4'-P energy: -42.359
tors. eta vs tors. theta energy: -25.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -414.162295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.162295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.162295 (E_RNA)
where:
Base-Base interactions energy: -202.196
where: short stacking energy: -113.963
Base-Backbone interact. energy: 8.931
local terms energy: -220.896693
where:
bonds (distance) C4'-P energy: -74.036
bonds (distance) P-C4' energy: -69.303
flat angles C4'-P-C4' energy: -48.064
flat angles P-C4'-P energy: -42.406
tors. eta vs tors. theta energy: 12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -315.662865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.662865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.662865 (E_RNA)
where:
Base-Base interactions energy: -105.960
where: short stacking energy: -85.566
Base-Backbone interact. energy: -1.541
local terms energy: -208.161567
where:
bonds (distance) C4'-P energy: -58.188
bonds (distance) P-C4' energy: -65.354
flat angles C4'-P-C4' energy: -65.954
flat angles P-C4'-P energy: -44.446
tors. eta vs tors. theta energy: 25.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1408.957513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.957513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.957513 (E_RNA)
where:
Base-Base interactions energy: -977.576
where: short stacking energy: -404.473
Base-Backbone interact. energy: 2.903
local terms energy: -434.284495
where:
bonds (distance) C4'-P energy: -84.022
bonds (distance) P-C4' energy: -82.709
flat angles C4'-P-C4' energy: -85.075
flat angles P-C4'-P energy: -62.426
tors. eta vs tors. theta energy: -120.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1381.667532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.667532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.667532 (E_RNA)
where:
Base-Base interactions energy: -956.303
where: short stacking energy: -359.192
Base-Backbone interact. energy: -1.409
local terms energy: -423.955838
where:
bonds (distance) C4'-P energy: -70.663
bonds (distance) P-C4' energy: -87.104
flat angles C4'-P-C4' energy: -87.402
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: -115.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1312.558543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.558543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.558543 (E_RNA)
where:
Base-Base interactions energy: -904.706
where: short stacking energy: -377.813
Base-Backbone interact. energy: -2.689
local terms energy: -405.164276
where:
bonds (distance) C4'-P energy: -79.860
bonds (distance) P-C4' energy: -69.441
flat angles C4'-P-C4' energy: -89.669
flat angles P-C4'-P energy: -46.294
tors. eta vs tors. theta energy: -119.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1216.961215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.961215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.961215 (E_RNA)
where:
Base-Base interactions energy: -836.539
where: short stacking energy: -343.746
Base-Backbone interact. energy: -1.371
local terms energy: -379.051342
where:
bonds (distance) C4'-P energy: -78.317
bonds (distance) P-C4' energy: -71.464
flat angles C4'-P-C4' energy: -90.738
flat angles P-C4'-P energy: -51.056
tors. eta vs tors. theta energy: -87.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1122.528382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.528382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.528382 (E_RNA)
where:
Base-Base interactions energy: -734.287
where: short stacking energy: -295.187
Base-Backbone interact. energy: -2.060
local terms energy: -386.181336
where:
bonds (distance) C4'-P energy: -76.376
bonds (distance) P-C4' energy: -88.049
flat angles C4'-P-C4' energy: -87.177
flat angles P-C4'-P energy: -54.318
tors. eta vs tors. theta energy: -80.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1151.426517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.426517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.426517 (E_RNA)
where:
Base-Base interactions energy: -779.734
where: short stacking energy: -337.750
Base-Backbone interact. energy: -1.457
local terms energy: -370.235613
where:
bonds (distance) C4'-P energy: -78.209
bonds (distance) P-C4' energy: -63.874
flat angles C4'-P-C4' energy: -78.575
flat angles P-C4'-P energy: -49.795
tors. eta vs tors. theta energy: -99.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -809.854002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.854002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.854002 (E_RNA)
where:
Base-Base interactions energy: -482.566
where: short stacking energy: -229.237
Base-Backbone interact. energy: 0.829
local terms energy: -328.117533
where:
bonds (distance) C4'-P energy: -80.204
bonds (distance) P-C4' energy: -78.927
flat angles C4'-P-C4' energy: -72.904
flat angles P-C4'-P energy: -40.368
tors. eta vs tors. theta energy: -55.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -657.965664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.965664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.965664 (E_RNA)
where:
Base-Base interactions energy: -372.546
where: short stacking energy: -176.565
Base-Backbone interact. energy: 4.084
local terms energy: -289.503526
where:
bonds (distance) C4'-P energy: -66.418
bonds (distance) P-C4' energy: -74.737
flat angles C4'-P-C4' energy: -61.222
flat angles P-C4'-P energy: -51.372
tors. eta vs tors. theta energy: -35.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -431.886164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.886164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.886164 (E_RNA)
where:
Base-Base interactions energy: -216.250
where: short stacking energy: -121.278
Base-Backbone interact. energy: -0.414
local terms energy: -215.221912
where:
bonds (distance) C4'-P energy: -49.280
bonds (distance) P-C4' energy: -54.357
flat angles C4'-P-C4' energy: -60.129
flat angles P-C4'-P energy: -40.083
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -331.766233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.766233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.766233 (E_RNA)
where:
Base-Base interactions energy: -123.837
where: short stacking energy: -103.752
Base-Backbone interact. energy: -3.353
local terms energy: -204.576322
where:
bonds (distance) C4'-P energy: -47.521
bonds (distance) P-C4' energy: -62.043
flat angles C4'-P-C4' energy: -70.751
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -4.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1392.957295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.957295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.957295 (E_RNA)
where:
Base-Base interactions energy: -964.473
where: short stacking energy: -412.360
Base-Backbone interact. energy: -0.074
local terms energy: -428.410932
where:
bonds (distance) C4'-P energy: -73.873
bonds (distance) P-C4' energy: -79.073
flat angles C4'-P-C4' energy: -86.230
flat angles P-C4'-P energy: -67.791
tors. eta vs tors. theta energy: -121.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1374.994028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.994028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.994028 (E_RNA)
where:
Base-Base interactions energy: -962.932
where: short stacking energy: -398.203
Base-Backbone interact. energy: -2.067
local terms energy: -409.995064
where:
bonds (distance) C4'-P energy: -72.364
bonds (distance) P-C4' energy: -78.013
flat angles C4'-P-C4' energy: -86.825
flat angles P-C4'-P energy: -61.107
tors. eta vs tors. theta energy: -111.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1317.742212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.742212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.742212 (E_RNA)
where:
Base-Base interactions energy: -910.679
where: short stacking energy: -370.703
Base-Backbone interact. energy: -1.510
local terms energy: -405.552932
where:
bonds (distance) C4'-P energy: -69.933
bonds (distance) P-C4' energy: -68.301
flat angles C4'-P-C4' energy: -86.121
flat angles P-C4'-P energy: -62.870
tors. eta vs tors. theta energy: -118.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1203.527871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.527871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.527871 (E_RNA)
where:
Base-Base interactions energy: -819.220
where: short stacking energy: -352.514
Base-Backbone interact. energy: 3.040
local terms energy: -387.347947
where:
bonds (distance) C4'-P energy: -76.213
bonds (distance) P-C4' energy: -64.459
flat angles C4'-P-C4' energy: -86.902
flat angles P-C4'-P energy: -55.990
tors. eta vs tors. theta energy: -103.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1177.624770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.624770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.624770 (E_RNA)
where:
Base-Base interactions energy: -809.816
where: short stacking energy: -336.303
Base-Backbone interact. energy: -1.363
local terms energy: -366.445602
where:
bonds (distance) C4'-P energy: -67.500
bonds (distance) P-C4' energy: -74.072
flat angles C4'-P-C4' energy: -80.474
flat angles P-C4'-P energy: -48.033
tors. eta vs tors. theta energy: -96.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1151.038214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.038214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.038214 (E_RNA)
where:
Base-Base interactions energy: -776.198
where: short stacking energy: -339.710
Base-Backbone interact. energy: -3.872
local terms energy: -370.968396
where:
bonds (distance) C4'-P energy: -74.033
bonds (distance) P-C4' energy: -58.824
flat angles C4'-P-C4' energy: -83.529
flat angles P-C4'-P energy: -52.033
tors. eta vs tors. theta energy: -102.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -842.056761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.056761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.056761 (E_RNA)
where:
Base-Base interactions energy: -544.245
where: short stacking energy: -247.233
Base-Backbone interact. energy: 0.375
local terms energy: -298.186823
where:
bonds (distance) C4'-P energy: -65.100
bonds (distance) P-C4' energy: -67.797
flat angles C4'-P-C4' energy: -60.452
flat angles P-C4'-P energy: -30.604
tors. eta vs tors. theta energy: -74.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -647.087589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.087589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.087589 (E_RNA)
where:
Base-Base interactions energy: -364.002
where: short stacking energy: -190.262
Base-Backbone interact. energy: -1.460
local terms energy: -281.625208
where:
bonds (distance) C4'-P energy: -71.043
bonds (distance) P-C4' energy: -59.126
flat angles C4'-P-C4' energy: -76.030
flat angles P-C4'-P energy: -45.275
tors. eta vs tors. theta energy: -30.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -431.642230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.642230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.642230 (E_RNA)
where:
Base-Base interactions energy: -199.958
where: short stacking energy: -109.549
Base-Backbone interact. energy: 1.600
local terms energy: -233.284036
where:
bonds (distance) C4'-P energy: -62.205
bonds (distance) P-C4' energy: -66.369
flat angles C4'-P-C4' energy: -56.561
flat angles P-C4'-P energy: -41.859
tors. eta vs tors. theta energy: -6.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -305.481486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.481486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.481486 (E_RNA)
where:
Base-Base interactions energy: -80.382
where: short stacking energy: -71.858
Base-Backbone interact. energy: 0.610
local terms energy: -225.708593
where:
bonds (distance) C4'-P energy: -76.505
bonds (distance) P-C4' energy: -58.112
flat angles C4'-P-C4' energy: -62.208
flat angles P-C4'-P energy: -39.242
tors. eta vs tors. theta energy: 10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1391.055387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.055387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.055387 (E_RNA)
where:
Base-Base interactions energy: -952.668
where: short stacking energy: -406.401
Base-Backbone interact. energy: -1.488
local terms energy: -436.899091
where:
bonds (distance) C4'-P energy: -78.710
bonds (distance) P-C4' energy: -75.618
flat angles C4'-P-C4' energy: -86.324
flat angles P-C4'-P energy: -70.129
tors. eta vs tors. theta energy: -126.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1374.913460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.913460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.913460 (E_RNA)
where:
Base-Base interactions energy: -945.523
where: short stacking energy: -398.272
Base-Backbone interact. energy: -2.632
local terms energy: -426.757978
where:
bonds (distance) C4'-P energy: -87.644
bonds (distance) P-C4' energy: -73.534
flat angles C4'-P-C4' energy: -88.012
flat angles P-C4'-P energy: -55.958
tors. eta vs tors. theta energy: -121.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1313.494189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.494189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.494189 (E_RNA)
where:
Base-Base interactions energy: -907.052
where: short stacking energy: -375.041
Base-Backbone interact. energy: -2.475
local terms energy: -403.967548
where:
bonds (distance) C4'-P energy: -86.744
bonds (distance) P-C4' energy: -60.560
flat angles C4'-P-C4' energy: -76.582
flat angles P-C4'-P energy: -58.338
tors. eta vs tors. theta energy: -121.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1205.219263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.219263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.219263 (E_RNA)
where:
Base-Base interactions energy: -826.376
where: short stacking energy: -348.025
Base-Backbone interact. energy: -1.499
local terms energy: -377.344203
where:
bonds (distance) C4'-P energy: -68.562
bonds (distance) P-C4' energy: -72.416
flat angles C4'-P-C4' energy: -84.447
flat angles P-C4'-P energy: -56.560
tors. eta vs tors. theta energy: -95.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1198.294317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.294317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.294317 (E_RNA)
where:
Base-Base interactions energy: -831.625
where: short stacking energy: -319.585
Base-Backbone interact. energy: -2.528
local terms energy: -364.140957
where:
bonds (distance) C4'-P energy: -71.589
bonds (distance) P-C4' energy: -73.219
flat angles C4'-P-C4' energy: -82.951
flat angles P-C4'-P energy: -50.965
tors. eta vs tors. theta energy: -85.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1140.396619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.396619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.396619 (E_RNA)
where:
Base-Base interactions energy: -778.026
where: short stacking energy: -329.357
Base-Backbone interact. energy: 6.159
local terms energy: -368.528828
where:
bonds (distance) C4'-P energy: -67.140
bonds (distance) P-C4' energy: -72.027
flat angles C4'-P-C4' energy: -81.269
flat angles P-C4'-P energy: -51.133
tors. eta vs tors. theta energy: -96.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -834.883608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.883608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.883608 (E_RNA)
where:
Base-Base interactions energy: -522.327
where: short stacking energy: -273.175
Base-Backbone interact. energy: -0.090
local terms energy: -312.467064
where:
bonds (distance) C4'-P energy: -50.363
bonds (distance) P-C4' energy: -76.052
flat angles C4'-P-C4' energy: -74.471
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: -66.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -665.186087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.186087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.186087 (E_RNA)
where:
Base-Base interactions energy: -372.320
where: short stacking energy: -157.666
Base-Backbone interact. energy: -2.559
local terms energy: -290.306995
where:
bonds (distance) C4'-P energy: -68.448
bonds (distance) P-C4' energy: -74.722
flat angles C4'-P-C4' energy: -61.765
flat angles P-C4'-P energy: -46.556
tors. eta vs tors. theta energy: -38.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -409.796991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.796991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.796991 (E_RNA)
where:
Base-Base interactions energy: -193.188
where: short stacking energy: -101.657
Base-Backbone interact. energy: -0.935
local terms energy: -215.673455
where:
bonds (distance) C4'-P energy: -61.293
bonds (distance) P-C4' energy: -76.843
flat angles C4'-P-C4' energy: -64.978
flat angles P-C4'-P energy: -27.517
tors. eta vs tors. theta energy: 14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -331.279868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.279868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.279868 (E_RNA)
where:
Base-Base interactions energy: -138.475
where: short stacking energy: -107.467
Base-Backbone interact. energy: 2.061
local terms energy: -194.866428
where:
bonds (distance) C4'-P energy: -56.350
bonds (distance) P-C4' energy: -67.283
flat angles C4'-P-C4' energy: -52.435
flat angles P-C4'-P energy: -22.315
tors. eta vs tors. theta energy: 3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1390.632927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.632927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.632927 (E_RNA)
where:
Base-Base interactions energy: -956.832
where: short stacking energy: -405.481
Base-Backbone interact. energy: -3.790
local terms energy: -430.010256
where:
bonds (distance) C4'-P energy: -79.142
bonds (distance) P-C4' energy: -75.547
flat angles C4'-P-C4' energy: -88.020
flat angles P-C4'-P energy: -63.948
tors. eta vs tors. theta energy: -123.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1342.009436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.009436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.009436 (E_RNA)
where:
Base-Base interactions energy: -927.705
where: short stacking energy: -378.673
Base-Backbone interact. energy: -1.281
local terms energy: -413.024100
where:
bonds (distance) C4'-P energy: -70.231
bonds (distance) P-C4' energy: -86.780
flat angles C4'-P-C4' energy: -87.210
flat angles P-C4'-P energy: -52.308
tors. eta vs tors. theta energy: -116.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1331.065298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.065298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.065298 (E_RNA)
where:
Base-Base interactions energy: -925.333
where: short stacking energy: -373.689
Base-Backbone interact. energy: -0.434
local terms energy: -405.299073
where:
bonds (distance) C4'-P energy: -68.154
bonds (distance) P-C4' energy: -79.385
flat angles C4'-P-C4' energy: -83.876
flat angles P-C4'-P energy: -51.104
tors. eta vs tors. theta energy: -122.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1231.484614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.484614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.484614 (E_RNA)
where:
Base-Base interactions energy: -841.833
where: short stacking energy: -348.311
Base-Backbone interact. energy: -0.214
local terms energy: -389.437304
where:
bonds (distance) C4'-P energy: -87.964
bonds (distance) P-C4' energy: -74.051
flat angles C4'-P-C4' energy: -71.403
flat angles P-C4'-P energy: -50.026
tors. eta vs tors. theta energy: -105.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1177.277525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.277525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.277525 (E_RNA)
where:
Base-Base interactions energy: -798.164
where: short stacking energy: -342.155
Base-Backbone interact. energy: -1.818
local terms energy: -377.295207
where:
bonds (distance) C4'-P energy: -76.689
bonds (distance) P-C4' energy: -68.006
flat angles C4'-P-C4' energy: -83.733
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: -99.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1122.769903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.769903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.769903 (E_RNA)
where:
Base-Base interactions energy: -755.809
where: short stacking energy: -306.983
Base-Backbone interact. energy: 3.983
local terms energy: -370.943407
where:
bonds (distance) C4'-P energy: -76.878
bonds (distance) P-C4' energy: -74.928
flat angles C4'-P-C4' energy: -78.828
flat angles P-C4'-P energy: -53.377
tors. eta vs tors. theta energy: -86.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -810.648342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.648342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.648342 (E_RNA)
where:
Base-Base interactions energy: -505.268
where: short stacking energy: -230.068
Base-Backbone interact. energy: -1.696
local terms energy: -303.684514
where:
bonds (distance) C4'-P energy: -48.183
bonds (distance) P-C4' energy: -71.573
flat angles C4'-P-C4' energy: -82.257
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: -62.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -611.674747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.674747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.674747 (E_RNA)
where:
Base-Base interactions energy: -340.895
where: short stacking energy: -174.722
Base-Backbone interact. energy: 0.512
local terms energy: -271.291679
where:
bonds (distance) C4'-P energy: -70.703
bonds (distance) P-C4' energy: -73.344
flat angles C4'-P-C4' energy: -59.246
flat angles P-C4'-P energy: -39.117
tors. eta vs tors. theta energy: -28.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -448.971212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.971212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.971212 (E_RNA)
where:
Base-Base interactions energy: -212.210
where: short stacking energy: -121.833
Base-Backbone interact. energy: -1.623
local terms energy: -235.138562
where:
bonds (distance) C4'-P energy: -74.031
bonds (distance) P-C4' energy: -68.612
flat angles C4'-P-C4' energy: -66.943
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -333.009345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.009345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.009345 (E_RNA)
where:
Base-Base interactions energy: -103.639
where: short stacking energy: -73.853
Base-Backbone interact. energy: 2.859
local terms energy: -232.229931
where:
bonds (distance) C4'-P energy: -55.966
bonds (distance) P-C4' energy: -67.740
flat angles C4'-P-C4' energy: -62.096
flat angles P-C4'-P energy: -46.655
tors. eta vs tors. theta energy: 0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1402.973027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.973027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.973027 (E_RNA)
where:
Base-Base interactions energy: -979.689
where: short stacking energy: -413.432
Base-Backbone interact. energy: -1.441
local terms energy: -421.842606
where:
bonds (distance) C4'-P energy: -79.589
bonds (distance) P-C4' energy: -68.420
flat angles C4'-P-C4' energy: -87.994
flat angles P-C4'-P energy: -64.817
tors. eta vs tors. theta energy: -121.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1331.191745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.191745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.191745 (E_RNA)
where:
Base-Base interactions energy: -903.608
where: short stacking energy: -370.500
Base-Backbone interact. energy: -2.693
local terms energy: -424.890109
where:
bonds (distance) C4'-P energy: -77.027
bonds (distance) P-C4' energy: -82.389
flat angles C4'-P-C4' energy: -85.008
flat angles P-C4'-P energy: -60.355
tors. eta vs tors. theta energy: -120.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1318.370489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.370489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.370489 (E_RNA)
where:
Base-Base interactions energy: -910.585
where: short stacking energy: -367.154
Base-Backbone interact. energy: -2.097
local terms energy: -405.689276
where:
bonds (distance) C4'-P energy: -79.433
bonds (distance) P-C4' energy: -67.230
flat angles C4'-P-C4' energy: -87.533
flat angles P-C4'-P energy: -57.850
tors. eta vs tors. theta energy: -113.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1225.489995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.489995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.489995 (E_RNA)
where:
Base-Base interactions energy: -865.785
where: short stacking energy: -333.013
Base-Backbone interact. energy: -2.930
local terms energy: -356.775183
where:
bonds (distance) C4'-P energy: -74.733
bonds (distance) P-C4' energy: -54.628
flat angles C4'-P-C4' energy: -76.771
flat angles P-C4'-P energy: -55.068
tors. eta vs tors. theta energy: -95.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1171.759649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.759649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.759649 (E_RNA)
where:
Base-Base interactions energy: -809.350
where: short stacking energy: -339.305
Base-Backbone interact. energy: -0.968
local terms energy: -361.442455
where:
bonds (distance) C4'-P energy: -60.851
bonds (distance) P-C4' energy: -66.704
flat angles C4'-P-C4' energy: -86.740
flat angles P-C4'-P energy: -44.282
tors. eta vs tors. theta energy: -102.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1114.765212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.765212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.765212 (E_RNA)
where:
Base-Base interactions energy: -744.767
where: short stacking energy: -320.181
Base-Backbone interact. energy: -0.193
local terms energy: -369.805016
where:
bonds (distance) C4'-P energy: -64.111
bonds (distance) P-C4' energy: -70.983
flat angles C4'-P-C4' energy: -85.694
flat angles P-C4'-P energy: -53.636
tors. eta vs tors. theta energy: -95.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -788.672674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.672674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.672674 (E_RNA)
where:
Base-Base interactions energy: -492.817
where: short stacking energy: -217.462
Base-Backbone interact. energy: 5.736
local terms energy: -301.591602
where:
bonds (distance) C4'-P energy: -72.681
bonds (distance) P-C4' energy: -65.650
flat angles C4'-P-C4' energy: -79.048
flat angles P-C4'-P energy: -36.699
tors. eta vs tors. theta energy: -47.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -567.881456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.881456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.881456 (E_RNA)
where:
Base-Base interactions energy: -290.369
where: short stacking energy: -139.338
Base-Backbone interact. energy: -0.484
local terms energy: -277.028655
where:
bonds (distance) C4'-P energy: -65.341
bonds (distance) P-C4' energy: -79.330
flat angles C4'-P-C4' energy: -55.857
flat angles P-C4'-P energy: -48.950
tors. eta vs tors. theta energy: -27.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -396.125279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.125279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.125279 (E_RNA)
where:
Base-Base interactions energy: -164.159
where: short stacking energy: -107.138
Base-Backbone interact. energy: -1.864
local terms energy: -230.102963
where:
bonds (distance) C4'-P energy: -63.461
bonds (distance) P-C4' energy: -54.605
flat angles C4'-P-C4' energy: -77.366
flat angles P-C4'-P energy: -30.067
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -375.621639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.621639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.621639 (E_RNA)
where:
Base-Base interactions energy: -158.615
where: short stacking energy: -106.188
Base-Backbone interact. energy: -1.208
local terms energy: -215.798769
where:
bonds (distance) C4'-P energy: -67.569
bonds (distance) P-C4' energy: -73.740
flat angles C4'-P-C4' energy: -58.015
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: 3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1399.484638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.484638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.484638 (E_RNA)
where:
Base-Base interactions energy: -977.877
where: short stacking energy: -408.644
Base-Backbone interact. energy: 1.546
local terms energy: -423.153300
where:
bonds (distance) C4'-P energy: -75.830
bonds (distance) P-C4' energy: -78.206
flat angles C4'-P-C4' energy: -93.640
flat angles P-C4'-P energy: -58.054
tors. eta vs tors. theta energy: -117.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1351.264721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.264721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.264721 (E_RNA)
where:
Base-Base interactions energy: -919.534
where: short stacking energy: -387.261
Base-Backbone interact. energy: -2.455
local terms energy: -429.275687
where:
bonds (distance) C4'-P energy: -73.763
bonds (distance) P-C4' energy: -83.264
flat angles C4'-P-C4' energy: -92.429
flat angles P-C4'-P energy: -56.499
tors. eta vs tors. theta energy: -123.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1313.556798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.556798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.556798 (E_RNA)
where:
Base-Base interactions energy: -882.843
where: short stacking energy: -370.537
Base-Backbone interact. energy: -1.176
local terms energy: -429.537433
where:
bonds (distance) C4'-P energy: -77.179
bonds (distance) P-C4' energy: -80.256
flat angles C4'-P-C4' energy: -88.122
flat angles P-C4'-P energy: -65.781
tors. eta vs tors. theta energy: -118.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1239.399555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.399555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.399555 (E_RNA)
where:
Base-Base interactions energy: -850.730
where: short stacking energy: -354.803
Base-Backbone interact. energy: -1.958
local terms energy: -386.711452
where:
bonds (distance) C4'-P energy: -68.770
bonds (distance) P-C4' energy: -72.216
flat angles C4'-P-C4' energy: -80.795
flat angles P-C4'-P energy: -56.136
tors. eta vs tors. theta energy: -108.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1188.066448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.066448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.066448 (E_RNA)
where:
Base-Base interactions energy: -812.097
where: short stacking energy: -332.863
Base-Backbone interact. energy: -2.166
local terms energy: -373.803501
where:
bonds (distance) C4'-P energy: -67.740
bonds (distance) P-C4' energy: -72.954
flat angles C4'-P-C4' energy: -91.414
flat angles P-C4'-P energy: -52.307
tors. eta vs tors. theta energy: -89.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1144.736472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.736472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.736472 (E_RNA)
where:
Base-Base interactions energy: -766.774
where: short stacking energy: -337.720
Base-Backbone interact. energy: -1.089
local terms energy: -376.873512
where:
bonds (distance) C4'-P energy: -60.232
bonds (distance) P-C4' energy: -66.148
flat angles C4'-P-C4' energy: -88.639
flat angles P-C4'-P energy: -53.445
tors. eta vs tors. theta energy: -108.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -846.766150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.766150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.766150 (E_RNA)
where:
Base-Base interactions energy: -530.873
where: short stacking energy: -243.290
Base-Backbone interact. energy: -0.405
local terms energy: -315.488728
where:
bonds (distance) C4'-P energy: -72.529
bonds (distance) P-C4' energy: -69.288
flat angles C4'-P-C4' energy: -61.171
flat angles P-C4'-P energy: -45.060
tors. eta vs tors. theta energy: -67.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -572.821671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.821671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.821671 (E_RNA)
where:
Base-Base interactions energy: -304.319
where: short stacking energy: -176.174
Base-Backbone interact. energy: 0.904
local terms energy: -269.407302
where:
bonds (distance) C4'-P energy: -61.654
bonds (distance) P-C4' energy: -80.562
flat angles C4'-P-C4' energy: -66.554
flat angles P-C4'-P energy: -34.982
tors. eta vs tors. theta energy: -25.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -430.050259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.050259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.050259 (E_RNA)
where:
Base-Base interactions energy: -188.857
where: short stacking energy: -116.266
Base-Backbone interact. energy: 3.131
local terms energy: -244.324608
where:
bonds (distance) C4'-P energy: -63.847
bonds (distance) P-C4' energy: -71.816
flat angles C4'-P-C4' energy: -59.783
flat angles P-C4'-P energy: -35.148
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -341.198391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.198391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.198391 (E_RNA)
where:
Base-Base interactions energy: -139.184
where: short stacking energy: -98.705
Base-Backbone interact. energy: -1.459
local terms energy: -200.554662
where:
bonds (distance) C4'-P energy: -55.219
bonds (distance) P-C4' energy: -57.675
flat angles C4'-P-C4' energy: -68.672
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: 6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1408.152929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.152929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.152929 (E_RNA)
where:
Base-Base interactions energy: -983.016
where: short stacking energy: -392.404
Base-Backbone interact. energy: -1.629
local terms energy: -423.507548
where:
bonds (distance) C4'-P energy: -84.693
bonds (distance) P-C4' energy: -69.633
flat angles C4'-P-C4' energy: -90.251
flat angles P-C4'-P energy: -60.978
tors. eta vs tors. theta energy: -117.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1347.736589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.736589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.736589 (E_RNA)
where:
Base-Base interactions energy: -941.166
where: short stacking energy: -383.409
Base-Backbone interact. energy: 0.143
local terms energy: -406.713597
where:
bonds (distance) C4'-P energy: -77.310
bonds (distance) P-C4' energy: -68.293
flat angles C4'-P-C4' energy: -93.726
flat angles P-C4'-P energy: -55.062
tors. eta vs tors. theta energy: -112.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1290.686552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.686552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.686552 (E_RNA)
where:
Base-Base interactions energy: -894.150
where: short stacking energy: -353.811
Base-Backbone interact. energy: 0.075
local terms energy: -396.611801
where:
bonds (distance) C4'-P energy: -66.514
bonds (distance) P-C4' energy: -83.512
flat angles C4'-P-C4' energy: -81.030
flat angles P-C4'-P energy: -53.961
tors. eta vs tors. theta energy: -111.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1236.529245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.529245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.529245 (E_RNA)
where:
Base-Base interactions energy: -846.404
where: short stacking energy: -367.491
Base-Backbone interact. energy: -0.951
local terms energy: -389.173897
where:
bonds (distance) C4'-P energy: -77.696
bonds (distance) P-C4' energy: -59.450
flat angles C4'-P-C4' energy: -92.326
flat angles P-C4'-P energy: -57.472
tors. eta vs tors. theta energy: -102.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1189.730537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.730537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.730537 (E_RNA)
where:
Base-Base interactions energy: -807.093
where: short stacking energy: -335.374
Base-Backbone interact. energy: -1.428
local terms energy: -381.209655
where:
bonds (distance) C4'-P energy: -70.882
bonds (distance) P-C4' energy: -66.673
flat angles C4'-P-C4' energy: -80.176
flat angles P-C4'-P energy: -51.535
tors. eta vs tors. theta energy: -111.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1101.539101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.539101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.539101 (E_RNA)
where:
Base-Base interactions energy: -752.260
where: short stacking energy: -310.785
Base-Backbone interact. energy: 1.544
local terms energy: -350.823312
where:
bonds (distance) C4'-P energy: -68.488
bonds (distance) P-C4' energy: -64.978
flat angles C4'-P-C4' energy: -77.629
flat angles P-C4'-P energy: -55.239
tors. eta vs tors. theta energy: -84.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -826.041199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.041199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.041199 (E_RNA)
where:
Base-Base interactions energy: -511.515
where: short stacking energy: -238.501
Base-Backbone interact. energy: -0.618
local terms energy: -313.907425
where:
bonds (distance) C4'-P energy: -66.357
bonds (distance) P-C4' energy: -75.203
flat angles C4'-P-C4' energy: -64.730
flat angles P-C4'-P energy: -43.025
tors. eta vs tors. theta energy: -64.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -571.314677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.314677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.314677 (E_RNA)
where:
Base-Base interactions energy: -312.223
where: short stacking energy: -166.965
Base-Backbone interact. energy: 1.564
local terms energy: -260.654920
where:
bonds (distance) C4'-P energy: -63.325
bonds (distance) P-C4' energy: -60.811
flat angles C4'-P-C4' energy: -70.969
flat angles P-C4'-P energy: -36.175
tors. eta vs tors. theta energy: -29.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -415.762074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.762074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.762074 (E_RNA)
where:
Base-Base interactions energy: -200.963
where: short stacking energy: -119.279
Base-Backbone interact. energy: -1.138
local terms energy: -213.661651
where:
bonds (distance) C4'-P energy: -56.538
bonds (distance) P-C4' energy: -69.444
flat angles C4'-P-C4' energy: -55.003
flat angles P-C4'-P energy: -31.252
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -331.278043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.278043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.278043 (E_RNA)
where:
Base-Base interactions energy: -118.172
where: short stacking energy: -83.418
Base-Backbone interact. energy: -1.584
local terms energy: -211.521803
where:
bonds (distance) C4'-P energy: -74.746
bonds (distance) P-C4' energy: -63.614
flat angles C4'-P-C4' energy: -50.680
flat angles P-C4'-P energy: -32.440
tors. eta vs tors. theta energy: 9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1386.238840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.238840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.238840 (E_RNA)
where:
Base-Base interactions energy: -953.235
where: short stacking energy: -387.519
Base-Backbone interact. energy: -2.204
local terms energy: -430.799527
where:
bonds (distance) C4'-P energy: -70.419
bonds (distance) P-C4' energy: -89.055
flat angles C4'-P-C4' energy: -90.958
flat angles P-C4'-P energy: -60.444
tors. eta vs tors. theta energy: -119.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1326.885328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.885328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.885328 (E_RNA)
where:
Base-Base interactions energy: -907.358
where: short stacking energy: -363.484
Base-Backbone interact. energy: -3.496
local terms energy: -416.031127
where:
bonds (distance) C4'-P energy: -83.366
bonds (distance) P-C4' energy: -72.733
flat angles C4'-P-C4' energy: -88.540
flat angles P-C4'-P energy: -58.168
tors. eta vs tors. theta energy: -113.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1289.390586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.390586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.390586 (E_RNA)
where:
Base-Base interactions energy: -880.433
where: short stacking energy: -361.517
Base-Backbone interact. energy: 0.133
local terms energy: -409.090371
where:
bonds (distance) C4'-P energy: -78.583
bonds (distance) P-C4' energy: -70.993
flat angles C4'-P-C4' energy: -88.350
flat angles P-C4'-P energy: -53.132
tors. eta vs tors. theta energy: -118.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1239.626401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.626401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.626401 (E_RNA)
where:
Base-Base interactions energy: -840.166
where: short stacking energy: -352.147
Base-Backbone interact. energy: -1.868
local terms energy: -397.591649
where:
bonds (distance) C4'-P energy: -68.364
bonds (distance) P-C4' energy: -80.628
flat angles C4'-P-C4' energy: -84.787
flat angles P-C4'-P energy: -58.656
tors. eta vs tors. theta energy: -105.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1137.231051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.231051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.231051 (E_RNA)
where:
Base-Base interactions energy: -759.511
where: short stacking energy: -297.626
Base-Backbone interact. energy: -1.599
local terms energy: -376.120749
where:
bonds (distance) C4'-P energy: -76.118
bonds (distance) P-C4' energy: -82.848
flat angles C4'-P-C4' energy: -71.113
flat angles P-C4'-P energy: -54.820
tors. eta vs tors. theta energy: -91.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1059.729300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.729300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.729300 (E_RNA)
where:
Base-Base interactions energy: -706.915
where: short stacking energy: -285.360
Base-Backbone interact. energy: 0.855
local terms energy: -353.670185
where:
bonds (distance) C4'-P energy: -71.239
bonds (distance) P-C4' energy: -73.620
flat angles C4'-P-C4' energy: -80.786
flat angles P-C4'-P energy: -47.364
tors. eta vs tors. theta energy: -80.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -834.801262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.801262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.801262 (E_RNA)
where:
Base-Base interactions energy: -518.596
where: short stacking energy: -235.928
Base-Backbone interact. energy: -0.906
local terms energy: -315.298940
where:
bonds (distance) C4'-P energy: -67.342
bonds (distance) P-C4' energy: -68.354
flat angles C4'-P-C4' energy: -71.302
flat angles P-C4'-P energy: -46.635
tors. eta vs tors. theta energy: -61.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -545.321588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.321588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.321588 (E_RNA)
where:
Base-Base interactions energy: -302.074
where: short stacking energy: -154.961
Base-Backbone interact. energy: -2.755
local terms energy: -240.492037
where:
bonds (distance) C4'-P energy: -55.337
bonds (distance) P-C4' energy: -75.270
flat angles C4'-P-C4' energy: -65.953
flat angles P-C4'-P energy: -30.784
tors. eta vs tors. theta energy: -13.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -430.122038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.122038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.122038 (E_RNA)
where:
Base-Base interactions energy: -194.376
where: short stacking energy: -130.264
Base-Backbone interact. energy: -0.476
local terms energy: -235.270455
where:
bonds (distance) C4'-P energy: -71.176
bonds (distance) P-C4' energy: -64.472
flat angles C4'-P-C4' energy: -57.189
flat angles P-C4'-P energy: -37.405
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -326.200753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.200753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.200753 (E_RNA)
where:
Base-Base interactions energy: -112.910
where: short stacking energy: -82.707
Base-Backbone interact. energy: -1.913
local terms energy: -211.377047
where:
bonds (distance) C4'-P energy: -51.958
bonds (distance) P-C4' energy: -77.923
flat angles C4'-P-C4' energy: -64.319
flat angles P-C4'-P energy: -32.143
tors. eta vs tors. theta energy: 14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1397.506654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.506654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.506654 (E_RNA)
where:
Base-Base interactions energy: -960.846
where: short stacking energy: -401.102
Base-Backbone interact. energy: -1.511
local terms energy: -435.148764
where:
bonds (distance) C4'-P energy: -89.708
bonds (distance) P-C4' energy: -82.903
flat angles C4'-P-C4' energy: -89.007
flat angles P-C4'-P energy: -54.570
tors. eta vs tors. theta energy: -118.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1355.997317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.997317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.997317 (E_RNA)
where:
Base-Base interactions energy: -904.329
where: short stacking energy: -390.697
Base-Backbone interact. energy: -0.792
local terms energy: -450.875812
where:
bonds (distance) C4'-P energy: -82.694
bonds (distance) P-C4' energy: -78.891
flat angles C4'-P-C4' energy: -98.201
flat angles P-C4'-P energy: -60.958
tors. eta vs tors. theta energy: -130.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1299.592581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.592581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.592581 (E_RNA)
where:
Base-Base interactions energy: -911.374
where: short stacking energy: -361.309
Base-Backbone interact. energy: -1.535
local terms energy: -386.684101
where:
bonds (distance) C4'-P energy: -69.896
bonds (distance) P-C4' energy: -60.804
flat angles C4'-P-C4' energy: -82.860
flat angles P-C4'-P energy: -52.411
tors. eta vs tors. theta energy: -120.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1229.087223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.087223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.087223 (E_RNA)
where:
Base-Base interactions energy: -848.621
where: short stacking energy: -366.156
Base-Backbone interact. energy: -1.590
local terms energy: -378.875953
where:
bonds (distance) C4'-P energy: -61.021
bonds (distance) P-C4' energy: -79.756
flat angles C4'-P-C4' energy: -82.781
flat angles P-C4'-P energy: -49.425
tors. eta vs tors. theta energy: -105.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1145.265961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.265961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.265961 (E_RNA)
where:
Base-Base interactions energy: -775.925
where: short stacking energy: -304.400
Base-Backbone interact. energy: -2.667
local terms energy: -366.674461
where:
bonds (distance) C4'-P energy: -75.257
bonds (distance) P-C4' energy: -72.108
flat angles C4'-P-C4' energy: -83.524
flat angles P-C4'-P energy: -58.319
tors. eta vs tors. theta energy: -77.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1083.912408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.912408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.912408 (E_RNA)
where:
Base-Base interactions energy: -719.709
where: short stacking energy: -291.030
Base-Backbone interact. energy: -2.888
local terms energy: -361.315296
where:
bonds (distance) C4'-P energy: -69.590
bonds (distance) P-C4' energy: -86.019
flat angles C4'-P-C4' energy: -72.544
flat angles P-C4'-P energy: -50.780
tors. eta vs tors. theta energy: -82.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -842.226175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.226175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.226175 (E_RNA)
where:
Base-Base interactions energy: -558.791
where: short stacking energy: -246.060
Base-Backbone interact. energy: -1.291
local terms energy: -282.143796
where:
bonds (distance) C4'-P energy: -71.101
bonds (distance) P-C4' energy: -62.210
flat angles C4'-P-C4' energy: -66.294
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: -53.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -517.388082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.388082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.388082 (E_RNA)
where:
Base-Base interactions energy: -270.613
where: short stacking energy: -123.205
Base-Backbone interact. energy: -0.294
local terms energy: -246.480761
where:
bonds (distance) C4'-P energy: -68.481
bonds (distance) P-C4' energy: -70.558
flat angles C4'-P-C4' energy: -65.253
flat angles P-C4'-P energy: -46.318
tors. eta vs tors. theta energy: 4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -450.928406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.928406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.928406 (E_RNA)
where:
Base-Base interactions energy: -209.558
where: short stacking energy: -113.502
Base-Backbone interact. energy: -0.433
local terms energy: -240.937434
where:
bonds (distance) C4'-P energy: -76.138
bonds (distance) P-C4' energy: -68.799
flat angles C4'-P-C4' energy: -76.361
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -331.692850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.692850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.692850 (E_RNA)
where:
Base-Base interactions energy: -120.829
where: short stacking energy: -74.650
Base-Backbone interact. energy: 0.043
local terms energy: -210.907616
where:
bonds (distance) C4'-P energy: -45.856
bonds (distance) P-C4' energy: -85.844
flat angles C4'-P-C4' energy: -69.657
flat angles P-C4'-P energy: -26.040
tors. eta vs tors. theta energy: 16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1389.186586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.186586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.186586 (E_RNA)
where:
Base-Base interactions energy: -979.035
where: short stacking energy: -406.785
Base-Backbone interact. energy: -2.008
local terms energy: -408.144180
where:
bonds (distance) C4'-P energy: -67.799
bonds (distance) P-C4' energy: -69.659
flat angles C4'-P-C4' energy: -92.560
flat angles P-C4'-P energy: -58.113
tors. eta vs tors. theta energy: -120.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1377.011840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.011840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.011840 (E_RNA)
where:
Base-Base interactions energy: -953.731
where: short stacking energy: -390.064
Base-Backbone interact. energy: 3.012
local terms energy: -426.292188
where:
bonds (distance) C4'-P energy: -75.209
bonds (distance) P-C4' energy: -80.588
flat angles C4'-P-C4' energy: -91.924
flat angles P-C4'-P energy: -56.431
tors. eta vs tors. theta energy: -122.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1315.336943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.336943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.336943 (E_RNA)
where:
Base-Base interactions energy: -916.717
where: short stacking energy: -368.077
Base-Backbone interact. energy: -2.202
local terms energy: -396.417248
where:
bonds (distance) C4'-P energy: -70.590
bonds (distance) P-C4' energy: -70.204
flat angles C4'-P-C4' energy: -81.446
flat angles P-C4'-P energy: -51.299
tors. eta vs tors. theta energy: -122.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1241.086780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.086780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.086780 (E_RNA)
where:
Base-Base interactions energy: -848.412
where: short stacking energy: -363.537
Base-Backbone interact. energy: -2.678
local terms energy: -389.996740
where:
bonds (distance) C4'-P energy: -74.642
bonds (distance) P-C4' energy: -68.109
flat angles C4'-P-C4' energy: -82.967
flat angles P-C4'-P energy: -51.831
tors. eta vs tors. theta energy: -112.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1182.033733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.033733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.033733 (E_RNA)
where:
Base-Base interactions energy: -812.347
where: short stacking energy: -326.731
Base-Backbone interact. energy: 0.862
local terms energy: -370.549231
where:
bonds (distance) C4'-P energy: -76.088
bonds (distance) P-C4' energy: -71.340
flat angles C4'-P-C4' energy: -71.694
flat angles P-C4'-P energy: -53.124
tors. eta vs tors. theta energy: -98.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1075.490841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.490841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.490841 (E_RNA)
where:
Base-Base interactions energy: -714.180
where: short stacking energy: -300.893
Base-Backbone interact. energy: -1.673
local terms energy: -359.638210
where:
bonds (distance) C4'-P energy: -68.699
bonds (distance) P-C4' energy: -77.002
flat angles C4'-P-C4' energy: -84.315
flat angles P-C4'-P energy: -49.686
tors. eta vs tors. theta energy: -79.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -861.625217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.625217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.625217 (E_RNA)
where:
Base-Base interactions energy: -547.109
where: short stacking energy: -233.906
Base-Backbone interact. energy: -0.673
local terms energy: -313.843044
where:
bonds (distance) C4'-P energy: -58.283
bonds (distance) P-C4' energy: -84.386
flat angles C4'-P-C4' energy: -66.703
flat angles P-C4'-P energy: -46.193
tors. eta vs tors. theta energy: -58.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -529.999709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.999709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.999709 (E_RNA)
where:
Base-Base interactions energy: -275.859
where: short stacking energy: -169.502
Base-Backbone interact. energy: -0.398
local terms energy: -253.742579
where:
bonds (distance) C4'-P energy: -49.241
bonds (distance) P-C4' energy: -80.429
flat angles C4'-P-C4' energy: -70.800
flat angles P-C4'-P energy: -31.686
tors. eta vs tors. theta energy: -21.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -423.727827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.727827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.727827 (E_RNA)
where:
Base-Base interactions energy: -214.578
where: short stacking energy: -106.258
Base-Backbone interact. energy: 2.644
local terms energy: -211.793685
where:
bonds (distance) C4'-P energy: -59.845
bonds (distance) P-C4' energy: -73.363
flat angles C4'-P-C4' energy: -53.094
flat angles P-C4'-P energy: -37.475
tors. eta vs tors. theta energy: 11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -307.519330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.519330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.519330 (E_RNA)
where:
Base-Base interactions energy: -122.153
where: short stacking energy: -82.679
Base-Backbone interact. energy: -0.590
local terms energy: -184.776717
where:
bonds (distance) C4'-P energy: -64.887
bonds (distance) P-C4' energy: -59.458
flat angles C4'-P-C4' energy: -44.686
flat angles P-C4'-P energy: -36.016
tors. eta vs tors. theta energy: 20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1412.900741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.900741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.900741 (E_RNA)
where:
Base-Base interactions energy: -964.179
where: short stacking energy: -411.275
Base-Backbone interact. energy: -1.058
local terms energy: -447.663195
where:
bonds (distance) C4'-P energy: -75.932
bonds (distance) P-C4' energy: -80.908
flat angles C4'-P-C4' energy: -100.940
flat angles P-C4'-P energy: -62.810
tors. eta vs tors. theta energy: -127.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1354.388855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.388855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.388855 (E_RNA)
where:
Base-Base interactions energy: -910.823
where: short stacking energy: -381.305
Base-Backbone interact. energy: -3.002
local terms energy: -440.563693
where:
bonds (distance) C4'-P energy: -84.335
bonds (distance) P-C4' energy: -75.147
flat angles C4'-P-C4' energy: -93.412
flat angles P-C4'-P energy: -64.100
tors. eta vs tors. theta energy: -123.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1328.852703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.852703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.852703 (E_RNA)
where:
Base-Base interactions energy: -944.145
where: short stacking energy: -387.427
Base-Backbone interact. energy: 0.010
local terms energy: -384.718132
where:
bonds (distance) C4'-P energy: -61.108
bonds (distance) P-C4' energy: -73.291
flat angles C4'-P-C4' energy: -82.797
flat angles P-C4'-P energy: -57.424
tors. eta vs tors. theta energy: -110.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1245.667887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.667887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.667887 (E_RNA)
where:
Base-Base interactions energy: -852.270
where: short stacking energy: -346.075
Base-Backbone interact. energy: -1.257
local terms energy: -392.141147
where:
bonds (distance) C4'-P energy: -80.602
bonds (distance) P-C4' energy: -76.427
flat angles C4'-P-C4' energy: -71.169
flat angles P-C4'-P energy: -58.126
tors. eta vs tors. theta energy: -105.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1175.347886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.347886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.347886 (E_RNA)
where:
Base-Base interactions energy: -788.806
where: short stacking energy: -323.704
Base-Backbone interact. energy: 0.066
local terms energy: -386.607638
where:
bonds (distance) C4'-P energy: -75.593
bonds (distance) P-C4' energy: -76.084
flat angles C4'-P-C4' energy: -79.236
flat angles P-C4'-P energy: -58.468
tors. eta vs tors. theta energy: -97.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1099.633507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.633507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.633507 (E_RNA)
where:
Base-Base interactions energy: -741.405
where: short stacking energy: -298.742
Base-Backbone interact. energy: -1.482
local terms energy: -356.746570
where:
bonds (distance) C4'-P energy: -64.541
bonds (distance) P-C4' energy: -74.980
flat angles C4'-P-C4' energy: -76.987
flat angles P-C4'-P energy: -53.790
tors. eta vs tors. theta energy: -86.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -867.612139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.612139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.612139 (E_RNA)
where:
Base-Base interactions energy: -543.383
where: short stacking energy: -231.538
Base-Backbone interact. energy: -0.026
local terms energy: -324.202394
where:
bonds (distance) C4'-P energy: -68.203
bonds (distance) P-C4' energy: -64.799
flat angles C4'-P-C4' energy: -76.382
flat angles P-C4'-P energy: -50.800
tors. eta vs tors. theta energy: -64.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -572.124696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.124696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.124696 (E_RNA)
where:
Base-Base interactions energy: -339.016
where: short stacking energy: -151.991
Base-Backbone interact. energy: 3.056
local terms energy: -236.164259
where:
bonds (distance) C4'-P energy: -70.670
bonds (distance) P-C4' energy: -80.693
flat angles C4'-P-C4' energy: -56.820
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -353.690988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.690988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.690988 (E_RNA)
where:
Base-Base interactions energy: -128.717
where: short stacking energy: -100.201
Base-Backbone interact. energy: 2.334
local terms energy: -227.307873
where:
bonds (distance) C4'-P energy: -61.796
bonds (distance) P-C4' energy: -75.289
flat angles C4'-P-C4' energy: -53.299
flat angles P-C4'-P energy: -30.251
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -395.676559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.676559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.676559 (E_RNA)
where:
Base-Base interactions energy: -192.582
where: short stacking energy: -112.005
Base-Backbone interact. energy: -4.687
local terms energy: -198.407836
where:
bonds (distance) C4'-P energy: -51.644
bonds (distance) P-C4' energy: -73.326
flat angles C4'-P-C4' energy: -63.061
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: 12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1406.270168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.270168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.270168 (E_RNA)
where:
Base-Base interactions energy: -963.221
where: short stacking energy: -404.883
Base-Backbone interact. energy: -2.691
local terms energy: -440.357806
where:
bonds (distance) C4'-P energy: -81.534
bonds (distance) P-C4' energy: -90.592
flat angles C4'-P-C4' energy: -82.764
flat angles P-C4'-P energy: -58.436
tors. eta vs tors. theta energy: -127.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1361.474765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.474765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.474765 (E_RNA)
where:
Base-Base interactions energy: -943.213
where: short stacking energy: -391.085
Base-Backbone interact. energy: -0.236
local terms energy: -418.026478
where:
bonds (distance) C4'-P energy: -63.211
bonds (distance) P-C4' energy: -78.768
flat angles C4'-P-C4' energy: -91.472
flat angles P-C4'-P energy: -65.241
tors. eta vs tors. theta energy: -119.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1314.061471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.061471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.061471 (E_RNA)
where:
Base-Base interactions energy: -908.128
where: short stacking energy: -370.125
Base-Backbone interact. energy: -3.213
local terms energy: -402.720218
where:
bonds (distance) C4'-P energy: -64.443
bonds (distance) P-C4' energy: -83.043
flat angles C4'-P-C4' energy: -89.756
flat angles P-C4'-P energy: -50.720
tors. eta vs tors. theta energy: -114.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1198.761295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.761295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.761295 (E_RNA)
where:
Base-Base interactions energy: -805.043
where: short stacking energy: -335.317
Base-Backbone interact. energy: -0.303
local terms energy: -393.415046
where:
bonds (distance) C4'-P energy: -76.283
bonds (distance) P-C4' energy: -80.599
flat angles C4'-P-C4' energy: -85.135
flat angles P-C4'-P energy: -55.819
tors. eta vs tors. theta energy: -95.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1211.126989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.126989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.126989 (E_RNA)
where:
Base-Base interactions energy: -835.520
where: short stacking energy: -346.780
Base-Backbone interact. energy: -2.070
local terms energy: -373.536479
where:
bonds (distance) C4'-P energy: -66.827
bonds (distance) P-C4' energy: -76.078
flat angles C4'-P-C4' energy: -80.734
flat angles P-C4'-P energy: -46.878
tors. eta vs tors. theta energy: -103.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1097.272544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.272544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.272544 (E_RNA)
where:
Base-Base interactions energy: -738.282
where: short stacking energy: -317.204
Base-Backbone interact. energy: 0.226
local terms energy: -359.216574
where:
bonds (distance) C4'-P energy: -74.695
bonds (distance) P-C4' energy: -64.468
flat angles C4'-P-C4' energy: -78.825
flat angles P-C4'-P energy: -51.580
tors. eta vs tors. theta energy: -89.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -835.317919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.317919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.317919 (E_RNA)
where:
Base-Base interactions energy: -526.673
where: short stacking energy: -228.806
Base-Backbone interact. energy: -3.450
local terms energy: -305.195493
where:
bonds (distance) C4'-P energy: -63.050
bonds (distance) P-C4' energy: -60.528
flat angles C4'-P-C4' energy: -73.893
flat angles P-C4'-P energy: -50.338
tors. eta vs tors. theta energy: -57.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -507.199083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.199083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.199083 (E_RNA)
where:
Base-Base interactions energy: -251.925
where: short stacking energy: -133.416
Base-Backbone interact. energy: 0.450
local terms energy: -255.724554
where:
bonds (distance) C4'-P energy: -66.913
bonds (distance) P-C4' energy: -83.709
flat angles C4'-P-C4' energy: -63.618
flat angles P-C4'-P energy: -38.116
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -341.821658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.821658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.821658 (E_RNA)
where:
Base-Base interactions energy: -145.969
where: short stacking energy: -120.544
Base-Backbone interact. energy: 1.554
local terms energy: -197.406615
where:
bonds (distance) C4'-P energy: -60.637
bonds (distance) P-C4' energy: -63.824
flat angles C4'-P-C4' energy: -56.845
flat angles P-C4'-P energy: -28.933
tors. eta vs tors. theta energy: 12.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -395.060045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.060045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.060045 (E_RNA)
where:
Base-Base interactions energy: -166.652
where: short stacking energy: -84.739
Base-Backbone interact. energy: 0.810
local terms energy: -229.218670
where:
bonds (distance) C4'-P energy: -70.938
bonds (distance) P-C4' energy: -75.219
flat angles C4'-P-C4' energy: -64.577
flat angles P-C4'-P energy: -26.636
tors. eta vs tors. theta energy: 8.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1433.196144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.196144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.196144 (E_RNA)
where:
Base-Base interactions energy: -1004.158
where: short stacking energy: -425.630
Base-Backbone interact. energy: -1.684
local terms energy: -427.353934
where:
bonds (distance) C4'-P energy: -77.980
bonds (distance) P-C4' energy: -72.625
flat angles C4'-P-C4' energy: -92.805
flat angles P-C4'-P energy: -63.039
tors. eta vs tors. theta energy: -120.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1364.827921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.827921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.827921 (E_RNA)
where:
Base-Base interactions energy: -939.346
where: short stacking energy: -382.625
Base-Backbone interact. energy: -0.049
local terms energy: -425.433360
where:
bonds (distance) C4'-P energy: -83.708
bonds (distance) P-C4' energy: -79.776
flat angles C4'-P-C4' energy: -85.513
flat angles P-C4'-P energy: -59.651
tors. eta vs tors. theta energy: -116.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1372.390387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.390387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.390387 (E_RNA)
where:
Base-Base interactions energy: -944.510
where: short stacking energy: -396.475
Base-Backbone interact. energy: -0.103
local terms energy: -427.777494
where:
bonds (distance) C4'-P energy: -75.879
bonds (distance) P-C4' energy: -77.494
flat angles C4'-P-C4' energy: -87.167
flat angles P-C4'-P energy: -63.822
tors. eta vs tors. theta energy: -123.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1218.074858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.074858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.074858 (E_RNA)
where:
Base-Base interactions energy: -830.066
where: short stacking energy: -337.006
Base-Backbone interact. energy: -1.114
local terms energy: -386.894394
where:
bonds (distance) C4'-P energy: -59.219
bonds (distance) P-C4' energy: -83.858
flat angles C4'-P-C4' energy: -87.127
flat angles P-C4'-P energy: -54.711
tors. eta vs tors. theta energy: -101.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1176.100610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.100610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.100610 (E_RNA)
where:
Base-Base interactions energy: -812.565
where: short stacking energy: -326.838
Base-Backbone interact. energy: -0.817
local terms energy: -362.719220
where:
bonds (distance) C4'-P energy: -72.147
bonds (distance) P-C4' energy: -61.312
flat angles C4'-P-C4' energy: -85.831
flat angles P-C4'-P energy: -53.826
tors. eta vs tors. theta energy: -89.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1102.880973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.880973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.880973 (E_RNA)
where:
Base-Base interactions energy: -738.294
where: short stacking energy: -309.047
Base-Backbone interact. energy: -1.818
local terms energy: -362.769001
where:
bonds (distance) C4'-P energy: -73.250
bonds (distance) P-C4' energy: -60.759
flat angles C4'-P-C4' energy: -80.430
flat angles P-C4'-P energy: -51.816
tors. eta vs tors. theta energy: -96.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -894.349702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.349702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.349702 (E_RNA)
where:
Base-Base interactions energy: -554.657
where: short stacking energy: -246.072
Base-Backbone interact. energy: -1.109
local terms energy: -338.583238
where:
bonds (distance) C4'-P energy: -78.577
bonds (distance) P-C4' energy: -69.938
flat angles C4'-P-C4' energy: -74.041
flat angles P-C4'-P energy: -49.184
tors. eta vs tors. theta energy: -66.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -489.296169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.296169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.296169 (E_RNA)
where:
Base-Base interactions energy: -257.620
where: short stacking energy: -125.167
Base-Backbone interact. energy: -1.859
local terms energy: -229.816886
where:
bonds (distance) C4'-P energy: -77.616
bonds (distance) P-C4' energy: -66.429
flat angles C4'-P-C4' energy: -62.769
flat angles P-C4'-P energy: -29.149
tors. eta vs tors. theta energy: 6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -399.725529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.725529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.725529 (E_RNA)
where:
Base-Base interactions energy: -188.793
where: short stacking energy: -104.001
Base-Backbone interact. energy: -2.320
local terms energy: -208.612724
where:
bonds (distance) C4'-P energy: -53.750
bonds (distance) P-C4' energy: -72.219
flat angles C4'-P-C4' energy: -50.158
flat angles P-C4'-P energy: -44.925
tors. eta vs tors. theta energy: 12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -318.920191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.920191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.920191 (E_RNA)
where:
Base-Base interactions energy: -116.043
where: short stacking energy: -75.215
Base-Backbone interact. energy: 2.350
local terms energy: -205.226740
where:
bonds (distance) C4'-P energy: -55.489
bonds (distance) P-C4' energy: -68.604
flat angles C4'-P-C4' energy: -48.502
flat angles P-C4'-P energy: -36.332
tors. eta vs tors. theta energy: 3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1407.816231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.816231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.816231 (E_RNA)
where:
Base-Base interactions energy: -961.179
where: short stacking energy: -394.587
Base-Backbone interact. energy: -0.623
local terms energy: -446.014218
where:
bonds (distance) C4'-P energy: -87.082
bonds (distance) P-C4' energy: -78.547
flat angles C4'-P-C4' energy: -90.375
flat angles P-C4'-P energy: -64.146
tors. eta vs tors. theta energy: -125.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1363.131900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.131900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.131900 (E_RNA)
where:
Base-Base interactions energy: -952.934
where: short stacking energy: -394.021
Base-Backbone interact. energy: -1.997
local terms energy: -408.200329
where:
bonds (distance) C4'-P energy: -72.369
bonds (distance) P-C4' energy: -81.076
flat angles C4'-P-C4' energy: -87.502
flat angles P-C4'-P energy: -56.604
tors. eta vs tors. theta energy: -110.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1311.105498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.105498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.105498 (E_RNA)
where:
Base-Base interactions energy: -902.570
where: short stacking energy: -384.869
Base-Backbone interact. energy: -0.880
local terms energy: -407.655261
where:
bonds (distance) C4'-P energy: -78.377
bonds (distance) P-C4' energy: -68.182
flat angles C4'-P-C4' energy: -86.454
flat angles P-C4'-P energy: -51.937
tors. eta vs tors. theta energy: -122.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1224.830815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.830815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.830815 (E_RNA)
where:
Base-Base interactions energy: -831.733
where: short stacking energy: -336.451
Base-Backbone interact. energy: 3.193
local terms energy: -396.290601
where:
bonds (distance) C4'-P energy: -68.328
bonds (distance) P-C4' energy: -81.601
flat angles C4'-P-C4' energy: -96.893
flat angles P-C4'-P energy: -50.321
tors. eta vs tors. theta energy: -99.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1182.161704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.161704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.161704 (E_RNA)
where:
Base-Base interactions energy: -809.562
where: short stacking energy: -320.200
Base-Backbone interact. energy: -0.920
local terms energy: -371.680538
where:
bonds (distance) C4'-P energy: -63.882
bonds (distance) P-C4' energy: -81.763
flat angles C4'-P-C4' energy: -77.356
flat angles P-C4'-P energy: -50.809
tors. eta vs tors. theta energy: -97.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1111.381591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.381591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.381591 (E_RNA)
where:
Base-Base interactions energy: -748.678
where: short stacking energy: -309.338
Base-Backbone interact. energy: -0.099
local terms energy: -362.604491
where:
bonds (distance) C4'-P energy: -66.303
bonds (distance) P-C4' energy: -70.049
flat angles C4'-P-C4' energy: -78.692
flat angles P-C4'-P energy: -47.357
tors. eta vs tors. theta energy: -100.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -908.694210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.694210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.694210 (E_RNA)
where:
Base-Base interactions energy: -589.095
where: short stacking energy: -265.246
Base-Backbone interact. energy: -0.805
local terms energy: -318.794162
where:
bonds (distance) C4'-P energy: -60.479
bonds (distance) P-C4' energy: -61.499
flat angles C4'-P-C4' energy: -72.448
flat angles P-C4'-P energy: -48.136
tors. eta vs tors. theta energy: -76.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -520.159553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.159553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.159553 (E_RNA)
where:
Base-Base interactions energy: -281.316
where: short stacking energy: -160.504
Base-Backbone interact. energy: 2.437
local terms energy: -241.281172
where:
bonds (distance) C4'-P energy: -64.997
bonds (distance) P-C4' energy: -75.117
flat angles C4'-P-C4' energy: -67.245
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -9.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -404.275666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.275666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.275666 (E_RNA)
where:
Base-Base interactions energy: -198.067
where: short stacking energy: -133.310
Base-Backbone interact. energy: -0.708
local terms energy: -205.500814
where:
bonds (distance) C4'-P energy: -70.366
bonds (distance) P-C4' energy: -65.794
flat angles C4'-P-C4' energy: -56.068
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: 5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -314.382066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.382066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.382066 (E_RNA)
where:
Base-Base interactions energy: -92.488
where: short stacking energy: -58.049
Base-Backbone interact. energy: 0.146
local terms energy: -222.039921
where:
bonds (distance) C4'-P energy: -57.158
bonds (distance) P-C4' energy: -77.375
flat angles C4'-P-C4' energy: -62.186
flat angles P-C4'-P energy: -51.062
tors. eta vs tors. theta energy: 25.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1433.442623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.442623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.442623 (E_RNA)
where:
Base-Base interactions energy: -992.509
where: short stacking energy: -416.150
Base-Backbone interact. energy: -1.782
local terms energy: -439.152111
where:
bonds (distance) C4'-P energy: -79.032
bonds (distance) P-C4' energy: -81.122
flat angles C4'-P-C4' energy: -95.708
flat angles P-C4'-P energy: -59.863
tors. eta vs tors. theta energy: -123.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1357.972806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.972806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.972806 (E_RNA)
where:
Base-Base interactions energy: -944.930
where: short stacking energy: -401.360
Base-Backbone interact. energy: -2.947
local terms energy: -410.096242
where:
bonds (distance) C4'-P energy: -67.216
bonds (distance) P-C4' energy: -80.486
flat angles C4'-P-C4' energy: -86.048
flat angles P-C4'-P energy: -61.383
tors. eta vs tors. theta energy: -114.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1309.234726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.234726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.234726 (E_RNA)
where:
Base-Base interactions energy: -890.253
where: short stacking energy: -370.820
Base-Backbone interact. energy: -0.418
local terms energy: -418.564184
where:
bonds (distance) C4'-P energy: -73.873
bonds (distance) P-C4' energy: -83.095
flat angles C4'-P-C4' energy: -87.976
flat angles P-C4'-P energy: -57.395
tors. eta vs tors. theta energy: -116.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1229.213603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.213603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.213603 (E_RNA)
where:
Base-Base interactions energy: -831.418
where: short stacking energy: -337.434
Base-Backbone interact. energy: -3.225
local terms energy: -394.571172
where:
bonds (distance) C4'-P energy: -70.333
bonds (distance) P-C4' energy: -70.728
flat angles C4'-P-C4' energy: -85.279
flat angles P-C4'-P energy: -61.551
tors. eta vs tors. theta energy: -106.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1146.222988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.222988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.222988 (E_RNA)
where:
Base-Base interactions energy: -776.143
where: short stacking energy: -319.035
Base-Backbone interact. energy: -4.365
local terms energy: -365.714856
where:
bonds (distance) C4'-P energy: -75.278
bonds (distance) P-C4' energy: -69.551
flat angles C4'-P-C4' energy: -77.506
flat angles P-C4'-P energy: -54.096
tors. eta vs tors. theta energy: -89.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1115.009621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.009621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.009621 (E_RNA)
where:
Base-Base interactions energy: -760.627
where: short stacking energy: -326.702
Base-Backbone interact. energy: -0.429
local terms energy: -353.953115
where:
bonds (distance) C4'-P energy: -65.216
bonds (distance) P-C4' energy: -57.817
flat angles C4'-P-C4' energy: -80.512
flat angles P-C4'-P energy: -46.604
tors. eta vs tors. theta energy: -103.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -932.306897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.306897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.306897 (E_RNA)
where:
Base-Base interactions energy: -591.846
where: short stacking energy: -265.292
Base-Backbone interact. energy: 0.171
local terms energy: -340.632386
where:
bonds (distance) C4'-P energy: -74.162
bonds (distance) P-C4' energy: -69.012
flat angles C4'-P-C4' energy: -67.297
flat angles P-C4'-P energy: -46.461
tors. eta vs tors. theta energy: -83.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -527.519142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.519142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.519142 (E_RNA)
where:
Base-Base interactions energy: -273.297
where: short stacking energy: -133.037
Base-Backbone interact. energy: 5.973
local terms energy: -260.195408
where:
bonds (distance) C4'-P energy: -71.649
bonds (distance) P-C4' energy: -68.637
flat angles C4'-P-C4' energy: -65.230
flat angles P-C4'-P energy: -39.446
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -428.995313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.995313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.995313 (E_RNA)
where:
Base-Base interactions energy: -192.476
where: short stacking energy: -108.971
Base-Backbone interact. energy: -0.439
local terms energy: -236.080907
where:
bonds (distance) C4'-P energy: -79.376
bonds (distance) P-C4' energy: -64.203
flat angles C4'-P-C4' energy: -50.115
flat angles P-C4'-P energy: -43.074
tors. eta vs tors. theta energy: 0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -300.955324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.955324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.955324 (E_RNA)
where:
Base-Base interactions energy: -96.448
where: short stacking energy: -90.845
Base-Backbone interact. energy: 1.710
local terms energy: -206.218066
where:
bonds (distance) C4'-P energy: -68.283
bonds (distance) P-C4' energy: -64.924
flat angles C4'-P-C4' energy: -56.357
flat angles P-C4'-P energy: -36.886
tors. eta vs tors. theta energy: 20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1409.134135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.134135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.134135 (E_RNA)
where:
Base-Base interactions energy: -968.122
where: short stacking energy: -395.517
Base-Backbone interact. energy: -0.775
local terms energy: -440.237412
where:
bonds (distance) C4'-P energy: -82.148
bonds (distance) P-C4' energy: -83.209
flat angles C4'-P-C4' energy: -90.298
flat angles P-C4'-P energy: -58.657
tors. eta vs tors. theta energy: -125.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1354.055395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.055395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.055395 (E_RNA)
where:
Base-Base interactions energy: -931.687
where: short stacking energy: -400.971
Base-Backbone interact. energy: 0.275
local terms energy: -422.643325
where:
bonds (distance) C4'-P energy: -74.078
bonds (distance) P-C4' energy: -69.456
flat angles C4'-P-C4' energy: -92.397
flat angles P-C4'-P energy: -64.863
tors. eta vs tors. theta energy: -121.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1312.703876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.703876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.703876 (E_RNA)
where:
Base-Base interactions energy: -899.562
where: short stacking energy: -386.065
Base-Backbone interact. energy: -0.691
local terms energy: -412.450838
where:
bonds (distance) C4'-P energy: -82.813
bonds (distance) P-C4' energy: -81.874
flat angles C4'-P-C4' energy: -80.669
flat angles P-C4'-P energy: -46.289
tors. eta vs tors. theta energy: -120.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1254.713855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.713855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.713855 (E_RNA)
where:
Base-Base interactions energy: -867.849
where: short stacking energy: -350.350
Base-Backbone interact. energy: -2.074
local terms energy: -384.790779
where:
bonds (distance) C4'-P energy: -75.184
bonds (distance) P-C4' energy: -72.115
flat angles C4'-P-C4' energy: -89.084
flat angles P-C4'-P energy: -53.466
tors. eta vs tors. theta energy: -94.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1144.337679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.337679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.337679 (E_RNA)
where:
Base-Base interactions energy: -789.756
where: short stacking energy: -320.622
Base-Backbone interact. energy: -1.861
local terms energy: -352.720554
where:
bonds (distance) C4'-P energy: -75.264
bonds (distance) P-C4' energy: -77.490
flat angles C4'-P-C4' energy: -64.638
flat angles P-C4'-P energy: -51.630
tors. eta vs tors. theta energy: -83.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1105.647897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.647897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.647897 (E_RNA)
where:
Base-Base interactions energy: -764.399
where: short stacking energy: -335.362
Base-Backbone interact. energy: 7.076
local terms energy: -348.325469
where:
bonds (distance) C4'-P energy: -75.860
bonds (distance) P-C4' energy: -58.657
flat angles C4'-P-C4' energy: -70.407
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -96.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -897.762213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.762213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.762213 (E_RNA)
where:
Base-Base interactions energy: -585.237
where: short stacking energy: -256.597
Base-Backbone interact. energy: 2.595
local terms energy: -315.120875
where:
bonds (distance) C4'-P energy: -55.359
bonds (distance) P-C4' energy: -71.253
flat angles C4'-P-C4' energy: -77.668
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -72.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -524.828071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.828071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.828071 (E_RNA)
where:
Base-Base interactions energy: -288.627
where: short stacking energy: -162.804
Base-Backbone interact. energy: -0.234
local terms energy: -235.967272
where:
bonds (distance) C4'-P energy: -61.777
bonds (distance) P-C4' energy: -66.739
flat angles C4'-P-C4' energy: -72.696
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -10.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -432.342776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.342776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.342776 (E_RNA)
where:
Base-Base interactions energy: -208.302
where: short stacking energy: -119.650
Base-Backbone interact. energy: -2.902
local terms energy: -221.138313
where:
bonds (distance) C4'-P energy: -64.823
bonds (distance) P-C4' energy: -76.014
flat angles C4'-P-C4' energy: -43.224
flat angles P-C4'-P energy: -33.294
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -295.355159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.355159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.355159 (E_RNA)
where:
Base-Base interactions energy: -98.531
where: short stacking energy: -89.870
Base-Backbone interact. energy: -0.978
local terms energy: -195.845808
where:
bonds (distance) C4'-P energy: -54.705
bonds (distance) P-C4' energy: -67.458
flat angles C4'-P-C4' energy: -51.013
flat angles P-C4'-P energy: -35.083
tors. eta vs tors. theta energy: 12.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1408.943709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.943709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.943709 (E_RNA)
where:
Base-Base interactions energy: -991.974
where: short stacking energy: -416.011
Base-Backbone interact. energy: -0.755
local terms energy: -416.215119
where:
bonds (distance) C4'-P energy: -76.159
bonds (distance) P-C4' energy: -72.925
flat angles C4'-P-C4' energy: -87.944
flat angles P-C4'-P energy: -59.196
tors. eta vs tors. theta energy: -119.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1349.064638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.064638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.064638 (E_RNA)
where:
Base-Base interactions energy: -910.647
where: short stacking energy: -374.082
Base-Backbone interact. energy: -0.036
local terms energy: -438.381534
where:
bonds (distance) C4'-P energy: -79.123
bonds (distance) P-C4' energy: -85.644
flat angles C4'-P-C4' energy: -98.814
flat angles P-C4'-P energy: -55.183
tors. eta vs tors. theta energy: -119.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1309.988625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.988625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.988625 (E_RNA)
where:
Base-Base interactions energy: -893.033
where: short stacking energy: -362.489
Base-Backbone interact. energy: -0.925
local terms energy: -416.030422
where:
bonds (distance) C4'-P energy: -79.562
bonds (distance) P-C4' energy: -78.579
flat angles C4'-P-C4' energy: -86.193
flat angles P-C4'-P energy: -54.464
tors. eta vs tors. theta energy: -117.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1245.149321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.149321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.149321 (E_RNA)
where:
Base-Base interactions energy: -833.566
where: short stacking energy: -354.078
Base-Backbone interact. energy: -2.791
local terms energy: -408.792594
where:
bonds (distance) C4'-P energy: -77.472
bonds (distance) P-C4' energy: -75.419
flat angles C4'-P-C4' energy: -83.540
flat angles P-C4'-P energy: -70.580
tors. eta vs tors. theta energy: -101.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1183.200445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.200445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.200445 (E_RNA)
where:
Base-Base interactions energy: -790.462
where: short stacking energy: -316.763
Base-Backbone interact. energy: -3.941
local terms energy: -388.797459
where:
bonds (distance) C4'-P energy: -76.718
bonds (distance) P-C4' energy: -76.857
flat angles C4'-P-C4' energy: -84.263
flat angles P-C4'-P energy: -59.774
tors. eta vs tors. theta energy: -91.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1083.690206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.690206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.690206 (E_RNA)
where:
Base-Base interactions energy: -730.175
where: short stacking energy: -301.938
Base-Backbone interact. energy: -1.212
local terms energy: -352.303370
where:
bonds (distance) C4'-P energy: -69.547
bonds (distance) P-C4' energy: -63.724
flat angles C4'-P-C4' energy: -83.549
flat angles P-C4'-P energy: -51.723
tors. eta vs tors. theta energy: -83.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -904.618079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.618079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.618079 (E_RNA)
where:
Base-Base interactions energy: -550.050
where: short stacking energy: -250.143
Base-Backbone interact. energy: -2.054
local terms energy: -352.514596
where:
bonds (distance) C4'-P energy: -82.182
bonds (distance) P-C4' energy: -74.410
flat angles C4'-P-C4' energy: -78.352
flat angles P-C4'-P energy: -55.207
tors. eta vs tors. theta energy: -62.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -583.990855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.990855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.990855 (E_RNA)
where:
Base-Base interactions energy: -321.745
where: short stacking energy: -154.528
Base-Backbone interact. energy: -1.260
local terms energy: -260.985901
where:
bonds (distance) C4'-P energy: -64.290
bonds (distance) P-C4' energy: -78.109
flat angles C4'-P-C4' energy: -61.880
flat angles P-C4'-P energy: -41.772
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -413.430006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.430006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.430006 (E_RNA)
where:
Base-Base interactions energy: -189.527
where: short stacking energy: -106.670
Base-Backbone interact. energy: 4.636
local terms energy: -228.538897
where:
bonds (distance) C4'-P energy: -66.107
bonds (distance) P-C4' energy: -65.240
flat angles C4'-P-C4' energy: -60.501
flat angles P-C4'-P energy: -38.090
tors. eta vs tors. theta energy: 1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -316.015946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.015946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.015946 (E_RNA)
where:
Base-Base interactions energy: -124.541
where: short stacking energy: -93.286
Base-Backbone interact. energy: -1.229
local terms energy: -190.246439
where:
bonds (distance) C4'-P energy: -54.016
bonds (distance) P-C4' energy: -60.779
flat angles C4'-P-C4' energy: -61.381
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: 12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1404.175191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.175191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.175191 (E_RNA)
where:
Base-Base interactions energy: -976.684
where: short stacking energy: -403.708
Base-Backbone interact. energy: -0.316
local terms energy: -427.175080
where:
bonds (distance) C4'-P energy: -71.008
bonds (distance) P-C4' energy: -81.579
flat angles C4'-P-C4' energy: -83.502
flat angles P-C4'-P energy: -66.586
tors. eta vs tors. theta energy: -124.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1347.150328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.150328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.150328 (E_RNA)
where:
Base-Base interactions energy: -917.463
where: short stacking energy: -386.374
Base-Backbone interact. energy: -1.561
local terms energy: -428.126959
where:
bonds (distance) C4'-P energy: -80.593
bonds (distance) P-C4' energy: -76.741
flat angles C4'-P-C4' energy: -96.339
flat angles P-C4'-P energy: -53.348
tors. eta vs tors. theta energy: -121.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1334.205248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.205248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.205248 (E_RNA)
where:
Base-Base interactions energy: -925.893
where: short stacking energy: -392.599
Base-Backbone interact. energy: -1.389
local terms energy: -406.924039
where:
bonds (distance) C4'-P energy: -73.119
bonds (distance) P-C4' energy: -69.959
flat angles C4'-P-C4' energy: -89.555
flat angles P-C4'-P energy: -57.991
tors. eta vs tors. theta energy: -116.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1167.974965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.974965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.974965 (E_RNA)
where:
Base-Base interactions energy: -806.515
where: short stacking energy: -332.079
Base-Backbone interact. energy: -1.318
local terms energy: -360.142067
where:
bonds (distance) C4'-P energy: -69.509
bonds (distance) P-C4' energy: -77.969
flat angles C4'-P-C4' energy: -71.411
flat angles P-C4'-P energy: -52.668
tors. eta vs tors. theta energy: -88.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1203.423818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.423818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.423818 (E_RNA)
where:
Base-Base interactions energy: -818.340
where: short stacking energy: -342.167
Base-Backbone interact. energy: 0.298
local terms energy: -385.381601
where:
bonds (distance) C4'-P energy: -71.715
bonds (distance) P-C4' energy: -76.420
flat angles C4'-P-C4' energy: -80.348
flat angles P-C4'-P energy: -50.023
tors. eta vs tors. theta energy: -106.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1090.967803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.967803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.967803 (E_RNA)
where:
Base-Base interactions energy: -738.723
where: short stacking energy: -318.086
Base-Backbone interact. energy: 1.467
local terms energy: -353.711733
where:
bonds (distance) C4'-P energy: -58.635
bonds (distance) P-C4' energy: -78.440
flat angles C4'-P-C4' energy: -78.412
flat angles P-C4'-P energy: -51.440
tors. eta vs tors. theta energy: -86.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -909.382484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.382484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.382484 (E_RNA)
where:
Base-Base interactions energy: -583.208
where: short stacking energy: -264.111
Base-Backbone interact. energy: -0.949
local terms energy: -325.225560
where:
bonds (distance) C4'-P energy: -48.928
bonds (distance) P-C4' energy: -67.539
flat angles C4'-P-C4' energy: -78.774
flat angles P-C4'-P energy: -50.384
tors. eta vs tors. theta energy: -79.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -563.816513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.816513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.816513 (E_RNA)
where:
Base-Base interactions energy: -296.152
where: short stacking energy: -168.378
Base-Backbone interact. energy: -1.994
local terms energy: -265.669899
where:
bonds (distance) C4'-P energy: -66.902
bonds (distance) P-C4' energy: -63.493
flat angles C4'-P-C4' energy: -70.916
flat angles P-C4'-P energy: -39.342
tors. eta vs tors. theta energy: -25.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -437.320267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.320267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.320267 (E_RNA)
where:
Base-Base interactions energy: -211.179
where: short stacking energy: -123.007
Base-Backbone interact. energy: 0.527
local terms energy: -226.668239
where:
bonds (distance) C4'-P energy: -55.179
bonds (distance) P-C4' energy: -68.425
flat angles C4'-P-C4' energy: -61.168
flat angles P-C4'-P energy: -34.597
tors. eta vs tors. theta energy: -7.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -321.645998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.645998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.645998 (E_RNA)
where:
Base-Base interactions energy: -121.829
where: short stacking energy: -93.761
Base-Backbone interact. energy: -0.485
local terms energy: -199.332805
where:
bonds (distance) C4'-P energy: -68.354
bonds (distance) P-C4' energy: -72.367
flat angles C4'-P-C4' energy: -41.600
flat angles P-C4'-P energy: -37.368
tors. eta vs tors. theta energy: 20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1409.409103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.409103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.409103 (E_RNA)
where:
Base-Base interactions energy: -985.207
where: short stacking energy: -416.532
Base-Backbone interact. energy: -1.696
local terms energy: -422.506498
where:
bonds (distance) C4'-P energy: -74.602
bonds (distance) P-C4' energy: -81.193
flat angles C4'-P-C4' energy: -88.162
flat angles P-C4'-P energy: -54.740
tors. eta vs tors. theta energy: -123.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1336.034741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.034741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.034741 (E_RNA)
where:
Base-Base interactions energy: -907.611
where: short stacking energy: -381.977
Base-Backbone interact. energy: -1.285
local terms energy: -427.139219
where:
bonds (distance) C4'-P energy: -75.271
bonds (distance) P-C4' energy: -84.204
flat angles C4'-P-C4' energy: -85.895
flat angles P-C4'-P energy: -59.967
tors. eta vs tors. theta energy: -121.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1329.391353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.391353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.391353 (E_RNA)
where:
Base-Base interactions energy: -894.203
where: short stacking energy: -375.952
Base-Backbone interact. energy: -0.587
local terms energy: -434.601568
where:
bonds (distance) C4'-P energy: -85.982
bonds (distance) P-C4' energy: -73.325
flat angles C4'-P-C4' energy: -93.410
flat angles P-C4'-P energy: -65.236
tors. eta vs tors. theta energy: -116.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1230.538263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.538263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.538263 (E_RNA)
where:
Base-Base interactions energy: -828.691
where: short stacking energy: -348.637
Base-Backbone interact. energy: -1.359
local terms energy: -400.488153
where:
bonds (distance) C4'-P energy: -76.501
bonds (distance) P-C4' energy: -72.518
flat angles C4'-P-C4' energy: -82.216
flat angles P-C4'-P energy: -59.103
tors. eta vs tors. theta energy: -110.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1184.479958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.479958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.479958 (E_RNA)
where:
Base-Base interactions energy: -822.450
where: short stacking energy: -313.252
Base-Backbone interact. energy: 0.294
local terms energy: -362.323257
where:
bonds (distance) C4'-P energy: -72.018
bonds (distance) P-C4' energy: -74.641
flat angles C4'-P-C4' energy: -74.526
flat angles P-C4'-P energy: -46.690
tors. eta vs tors. theta energy: -94.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1103.753986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.753986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.753986 (E_RNA)
where:
Base-Base interactions energy: -742.719
where: short stacking energy: -320.381
Base-Backbone interact. energy: -0.746
local terms energy: -360.289108
where:
bonds (distance) C4'-P energy: -68.716
bonds (distance) P-C4' energy: -83.606
flat angles C4'-P-C4' energy: -75.282
flat angles P-C4'-P energy: -49.783
tors. eta vs tors. theta energy: -82.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -914.960506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.960506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.960506 (E_RNA)
where:
Base-Base interactions energy: -595.744
where: short stacking energy: -267.422
Base-Backbone interact. energy: 2.641
local terms energy: -321.858091
where:
bonds (distance) C4'-P energy: -70.608
bonds (distance) P-C4' energy: -55.223
flat angles C4'-P-C4' energy: -80.467
flat angles P-C4'-P energy: -44.995
tors. eta vs tors. theta energy: -70.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -573.742838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.742838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.742838 (E_RNA)
where:
Base-Base interactions energy: -299.559
where: short stacking energy: -158.989
Base-Backbone interact. energy: 5.584
local terms energy: -279.767876
where:
bonds (distance) C4'-P energy: -61.581
bonds (distance) P-C4' energy: -66.949
flat angles C4'-P-C4' energy: -70.852
flat angles P-C4'-P energy: -47.650
tors. eta vs tors. theta energy: -32.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -418.053778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.053778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.053778 (E_RNA)
where:
Base-Base interactions energy: -195.802
where: short stacking energy: -124.862
Base-Backbone interact. energy: -1.704
local terms energy: -220.547971
where:
bonds (distance) C4'-P energy: -68.724
bonds (distance) P-C4' energy: -65.827
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -31.593
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -328.154868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.154868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.154868 (E_RNA)
where:
Base-Base interactions energy: -109.882
where: short stacking energy: -77.431
Base-Backbone interact. energy: 1.268
local terms energy: -219.540922
where:
bonds (distance) C4'-P energy: -76.329
bonds (distance) P-C4' energy: -70.482
flat angles C4'-P-C4' energy: -59.996
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: 5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1416.424661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.424661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.424661 (E_RNA)
where:
Base-Base interactions energy: -973.524
where: short stacking energy: -410.246
Base-Backbone interact. energy: -1.175
local terms energy: -441.726187
where:
bonds (distance) C4'-P energy: -80.015
bonds (distance) P-C4' energy: -86.081
flat angles C4'-P-C4' energy: -86.336
flat angles P-C4'-P energy: -61.706
tors. eta vs tors. theta energy: -127.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1329.341100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.341100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.341100 (E_RNA)
where:
Base-Base interactions energy: -909.861
where: short stacking energy: -365.923
Base-Backbone interact. energy: -0.383
local terms energy: -419.096379
where:
bonds (distance) C4'-P energy: -81.862
bonds (distance) P-C4' energy: -77.113
flat angles C4'-P-C4' energy: -85.162
flat angles P-C4'-P energy: -57.469
tors. eta vs tors. theta energy: -117.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1316.487450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.487450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.487450 (E_RNA)
where:
Base-Base interactions energy: -899.607
where: short stacking energy: -368.341
Base-Backbone interact. energy: -1.032
local terms energy: -415.848058
where:
bonds (distance) C4'-P energy: -72.912
bonds (distance) P-C4' energy: -73.050
flat angles C4'-P-C4' energy: -94.250
flat angles P-C4'-P energy: -61.402
tors. eta vs tors. theta energy: -114.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1233.626408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.626408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.626408 (E_RNA)
where:
Base-Base interactions energy: -830.711
where: short stacking energy: -351.461
Base-Backbone interact. energy: -0.928
local terms energy: -401.986799
where:
bonds (distance) C4'-P energy: -87.471
bonds (distance) P-C4' energy: -72.753
flat angles C4'-P-C4' energy: -86.600
flat angles P-C4'-P energy: -51.359
tors. eta vs tors. theta energy: -103.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1164.965744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.965744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.965744 (E_RNA)
where:
Base-Base interactions energy: -813.710
where: short stacking energy: -330.189
Base-Backbone interact. energy: 1.218
local terms energy: -352.473767
where:
bonds (distance) C4'-P energy: -70.169
bonds (distance) P-C4' energy: -70.209
flat angles C4'-P-C4' energy: -71.029
flat angles P-C4'-P energy: -43.133
tors. eta vs tors. theta energy: -97.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1064.474884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.474884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.474884 (E_RNA)
where:
Base-Base interactions energy: -713.481
where: short stacking energy: -313.751
Base-Backbone interact. energy: 1.517
local terms energy: -352.510453
where:
bonds (distance) C4'-P energy: -60.825
bonds (distance) P-C4' energy: -65.388
flat angles C4'-P-C4' energy: -79.841
flat angles P-C4'-P energy: -55.819
tors. eta vs tors. theta energy: -90.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -929.370352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.370352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.370352 (E_RNA)
where:
Base-Base interactions energy: -626.254
where: short stacking energy: -273.840
Base-Backbone interact. energy: -3.618
local terms energy: -299.498562
where:
bonds (distance) C4'-P energy: -55.134
bonds (distance) P-C4' energy: -63.981
flat angles C4'-P-C4' energy: -79.468
flat angles P-C4'-P energy: -32.407
tors. eta vs tors. theta energy: -68.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -558.576547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.576547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.576547 (E_RNA)
where:
Base-Base interactions energy: -305.680
where: short stacking energy: -173.835
Base-Backbone interact. energy: -1.066
local terms energy: -251.830075
where:
bonds (distance) C4'-P energy: -69.154
bonds (distance) P-C4' energy: -65.156
flat angles C4'-P-C4' energy: -64.982
flat angles P-C4'-P energy: -28.840
tors. eta vs tors. theta energy: -23.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -412.110752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.110752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.110752 (E_RNA)
where:
Base-Base interactions energy: -181.468
where: short stacking energy: -111.156
Base-Backbone interact. energy: -0.655
local terms energy: -229.987093
where:
bonds (distance) C4'-P energy: -61.459
bonds (distance) P-C4' energy: -82.258
flat angles C4'-P-C4' energy: -53.955
flat angles P-C4'-P energy: -36.483
tors. eta vs tors. theta energy: 4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -323.023806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.023806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.023806 (E_RNA)
where:
Base-Base interactions energy: -107.492
where: short stacking energy: -83.595
Base-Backbone interact. energy: 0.252
local terms energy: -215.783992
where:
bonds (distance) C4'-P energy: -59.832
bonds (distance) P-C4' energy: -75.181
flat angles C4'-P-C4' energy: -39.399
flat angles P-C4'-P energy: -48.764
tors. eta vs tors. theta energy: 7.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1386.265488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.265488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.265488 (E_RNA)
where:
Base-Base interactions energy: -951.759
where: short stacking energy: -404.883
Base-Backbone interact. energy: -1.837
local terms energy: -432.668974
where:
bonds (distance) C4'-P energy: -84.152
bonds (distance) P-C4' energy: -75.589
flat angles C4'-P-C4' energy: -86.555
flat angles P-C4'-P energy: -62.591
tors. eta vs tors. theta energy: -123.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1373.158238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.158238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.158238 (E_RNA)
where:
Base-Base interactions energy: -929.888
where: short stacking energy: -401.667
Base-Backbone interact. energy: -1.937
local terms energy: -441.333035
where:
bonds (distance) C4'-P energy: -84.581
bonds (distance) P-C4' energy: -81.462
flat angles C4'-P-C4' energy: -90.795
flat angles P-C4'-P energy: -61.843
tors. eta vs tors. theta energy: -122.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1301.761398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.761398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.761398 (E_RNA)
where:
Base-Base interactions energy: -906.996
where: short stacking energy: -374.233
Base-Backbone interact. energy: -1.838
local terms energy: -392.927242
where:
bonds (distance) C4'-P energy: -69.651
bonds (distance) P-C4' energy: -63.560
flat angles C4'-P-C4' energy: -88.130
flat angles P-C4'-P energy: -62.510
tors. eta vs tors. theta energy: -109.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1235.230559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.230559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.230559 (E_RNA)
where:
Base-Base interactions energy: -873.672
where: short stacking energy: -356.934
Base-Backbone interact. energy: -1.228
local terms energy: -360.331201
where:
bonds (distance) C4'-P energy: -62.889
bonds (distance) P-C4' energy: -67.346
flat angles C4'-P-C4' energy: -79.404
flat angles P-C4'-P energy: -46.795
tors. eta vs tors. theta energy: -103.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1128.814078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.814078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.814078 (E_RNA)
where:
Base-Base interactions energy: -750.133
where: short stacking energy: -337.469
Base-Backbone interact. energy: -2.810
local terms energy: -375.871036
where:
bonds (distance) C4'-P energy: -72.048
bonds (distance) P-C4' energy: -76.905
flat angles C4'-P-C4' energy: -73.089
flat angles P-C4'-P energy: -52.155
tors. eta vs tors. theta energy: -101.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1094.931593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.931593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.931593 (E_RNA)
where:
Base-Base interactions energy: -731.813
where: short stacking energy: -300.418
Base-Backbone interact. energy: -1.022
local terms energy: -362.096814
where:
bonds (distance) C4'-P energy: -62.909
bonds (distance) P-C4' energy: -73.512
flat angles C4'-P-C4' energy: -79.012
flat angles P-C4'-P energy: -54.266
tors. eta vs tors. theta energy: -92.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -898.574121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.574121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.574121 (E_RNA)
where:
Base-Base interactions energy: -608.487
where: short stacking energy: -259.898
Base-Backbone interact. energy: 0.078
local terms energy: -290.164853
where:
bonds (distance) C4'-P energy: -45.565
bonds (distance) P-C4' energy: -64.245
flat angles C4'-P-C4' energy: -59.579
flat angles P-C4'-P energy: -48.254
tors. eta vs tors. theta energy: -72.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -554.749202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.749202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.749202 (E_RNA)
where:
Base-Base interactions energy: -280.492
where: short stacking energy: -148.617
Base-Backbone interact. energy: -0.608
local terms energy: -273.648797
where:
bonds (distance) C4'-P energy: -80.552
bonds (distance) P-C4' energy: -63.319
flat angles C4'-P-C4' energy: -65.500
flat angles P-C4'-P energy: -39.216
tors. eta vs tors. theta energy: -25.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -432.084349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.084349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.084349 (E_RNA)
where:
Base-Base interactions energy: -213.546
where: short stacking energy: -115.073
Base-Backbone interact. energy: -1.992
local terms energy: -216.546816
where:
bonds (distance) C4'-P energy: -61.747
bonds (distance) P-C4' energy: -61.658
flat angles C4'-P-C4' energy: -66.364
flat angles P-C4'-P energy: -28.217
tors. eta vs tors. theta energy: 1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -312.521398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.521398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.521398 (E_RNA)
where:
Base-Base interactions energy: -113.713
where: short stacking energy: -95.942
Base-Backbone interact. energy: 0.860
local terms energy: -199.668859
where:
bonds (distance) C4'-P energy: -68.033
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -50.630
flat angles P-C4'-P energy: -35.610
tors. eta vs tors. theta energy: 2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/prfA-a2792f7b_01
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1376.136976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.136976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.136976 (E_RNA)
where:
Base-Base interactions energy: -961.102
where: short stacking energy: -373.951
Base-Backbone interact. energy: -2.792
local terms energy: -412.243387
where:
bonds (distance) C4'-P energy: -73.669
bonds (distance) P-C4' energy: -83.604
flat angles C4'-P-C4' energy: -82.244
flat angles P-C4'-P energy: -58.200
tors. eta vs tors. theta energy: -114.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1366.985464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.985464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.985464 (E_RNA)
where:
Base-Base interactions energy: -954.960
where: short stacking energy: -396.876
Base-Backbone interact. energy: 0.498
local terms energy: -412.523608
where:
bonds (distance) C4'-P energy: -71.913
bonds (distance) P-C4' energy: -72.651
flat angles C4'-P-C4' energy: -91.275
flat angles P-C4'-P energy: -51.236
tors. eta vs tors. theta energy: -125.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1310.765380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.765380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.765380 (E_RNA)
where:
Base-Base interactions energy: -887.605
where: short stacking energy: -363.566
Base-Backbone interact. energy: 0.536
local terms energy: -423.696367
where:
bonds (distance) C4'-P energy: -78.659
bonds (distance) P-C4' energy: -77.756
flat angles C4'-P-C4' energy: -93.023
flat angles P-C4'-P energy: -52.823
tors. eta vs tors. theta energy: -121.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1211.052422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.052422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.052422 (E_RNA)
where:
Base-Base interactions energy: -833.193
where: short stacking energy: -358.442
Base-Backbone interact. energy: -0.006
local terms energy: -377.852691
where:
bonds (distance) C4'-P energy: -66.019
bonds (distance) P-C4' energy: -72.591
flat angles C4'-P-C4' energy: -78.935
flat angles P-C4'-P energy: -51.491
tors. eta vs tors. theta energy: -108.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1163.620294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.620294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.620294 (E_RNA)
where:
Base-Base interactions energy: -798.943
where: short stacking energy: -347.086
Base-Backbone interact. energy: -1.649
local terms energy: -363.027995
where:
bonds (distance) C4'-P energy: -67.972
bonds (distance) P-C4' energy: -69.227
flat angles C4'-P-C4' energy: -82.201
flat angles P-C4'-P energy: -45.571
tors. eta vs tors. theta energy: -98.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1095.064126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.064126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.064126 (E_RNA)
where:
Base-Base interactions energy: -755.378
where: short stacking energy: -305.616
Base-Backbone interact. energy: -0.091
local terms energy: -339.594540
where:
bonds (distance) C4'-P energy: -65.325
bonds (distance) P-C4' energy: -72.786
flat angles C4'-P-C4' energy: -72.432
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -85.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -983.075742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.075742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.075742 (E_RNA)
where:
Base-Base interactions energy: -632.515
where: short stacking energy: -278.366
Base-Backbone interact. energy: -0.678
local terms energy: -349.882414
where:
bonds (distance) C4'-P energy: -73.439
bonds (distance) P-C4' energy: -84.004
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -59.154
tors. eta vs tors. theta energy: -72.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -548.333618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.333618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.333618 (E_RNA)
where:
Base-Base interactions energy: -300.544
where: short stacking energy: -175.744
Base-Backbone interact. energy: -1.540
local terms energy: -246.249123
where:
bonds (distance) C4'-P energy: -70.121
bonds (distance) P-C4' energy: -64.200
flat angles C4'-P-C4' energy: -61.552
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -26.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -474.603657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.603657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.603657 (E_RNA)
where:
Base-Base interactions energy: -253.886
where: short stacking energy: -140.163
Base-Backbone interact. energy: 0.959
local terms energy: -221.676827
where:
bonds (distance) C4'-P energy: -46.727
bonds (distance) P-C4' energy: -69.796
flat angles C4'-P-C4' energy: -64.281
flat angles P-C4'-P energy: -45.461
tors. eta vs tors. theta energy: 4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -302.638912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.638912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.638912 (E_RNA)
where:
Base-Base interactions energy: -115.258
where: short stacking energy: -98.475
Base-Backbone interact. energy: 0.436
local terms energy: -187.817194
where:
bonds (distance) C4'-P energy: -54.826
bonds (distance) P-C4' energy: -71.460
flat angles C4'-P-C4' energy: -45.333
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: 9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1394.505495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.505495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.505495 (E_RNA)
where:
Base-Base interactions energy: -962.223
where: short stacking energy: -397.575
Base-Backbone interact. energy: -0.829
local terms energy: -431.453853
where:
bonds (distance) C4'-P energy: -78.478
bonds (distance) P-C4' energy: -79.609
flat angles C4'-P-C4' energy: -94.075
flat angles P-C4'-P energy: -57.348
tors. eta vs tors. theta energy: -121.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1351.646996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.646996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.646996 (E_RNA)
where:
Base-Base interactions energy: -932.480
where: short stacking energy: -386.841
Base-Backbone interact. energy: -1.135
local terms energy: -418.032013
where:
bonds (distance) C4'-P energy: -70.400
bonds (distance) P-C4' energy: -87.167
flat angles C4'-P-C4' energy: -88.944
flat angles P-C4'-P energy: -50.367
tors. eta vs tors. theta energy: -121.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1329.874653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.874653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.874653 (E_RNA)
where:
Base-Base interactions energy: -926.459
where: short stacking energy: -373.427
Base-Backbone interact. energy: 0.982
local terms energy: -404.397474
where:
bonds (distance) C4'-P energy: -61.435
bonds (distance) P-C4' energy: -75.220
flat angles C4'-P-C4' energy: -93.975
flat angles P-C4'-P energy: -56.594
tors. eta vs tors. theta energy: -117.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1190.721885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.721885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.721885 (E_RNA)
where:
Base-Base interactions energy: -803.485
where: short stacking energy: -340.364
Base-Backbone interact. energy: -1.085
local terms energy: -386.151725
where:
bonds (distance) C4'-P energy: -68.605
bonds (distance) P-C4' energy: -79.033
flat angles C4'-P-C4' energy: -87.954
flat angles P-C4'-P energy: -51.256
tors. eta vs tors. theta energy: -99.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1114.341652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.341652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.341652 (E_RNA)
where:
Base-Base interactions energy: -768.551
where: short stacking energy: -313.715
Base-Backbone interact. energy: -0.402
local terms energy: -345.389303
where:
bonds (distance) C4'-P energy: -70.983
bonds (distance) P-C4' energy: -57.238
flat angles C4'-P-C4' energy: -79.036
flat angles P-C4'-P energy: -42.765
tors. eta vs tors. theta energy: -95.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1145.181996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.181996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.181996 (E_RNA)
where:
Base-Base interactions energy: -776.358
where: short stacking energy: -318.144
Base-Backbone interact. energy: 0.505
local terms energy: -369.329041
where:
bonds (distance) C4'-P energy: -74.339
bonds (distance) P-C4' energy: -68.110
flat angles C4'-P-C4' energy: -80.544
flat angles P-C4'-P energy: -61.432
tors. eta vs tors. theta energy: -84.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -960.552580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.552580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.552580 (E_RNA)
where:
Base-Base interactions energy: -620.735
where: short stacking energy: -268.321
Base-Backbone interact. energy: -0.223
local terms energy: -339.595041
where:
bonds (distance) C4'-P energy: -73.383
bonds (distance) P-C4' energy: -66.679
flat angles C4'-P-C4' energy: -82.125
flat angles P-C4'-P energy: -43.534
tors. eta vs tors. theta energy: -73.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -629.989078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.989078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.989078 (E_RNA)
where:
Base-Base interactions energy: -370.881
where: short stacking energy: -164.712
Base-Backbone interact. energy: -1.062
local terms energy: -258.045708
where:
bonds (distance) C4'-P energy: -58.415
bonds (distance) P-C4' energy: -71.016
flat angles C4'-P-C4' energy: -66.853
flat angles P-C4'-P energy: -40.633
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -340.428206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.428206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.428206 (E_RNA)
where:
Base-Base interactions energy: -127.866
where: short stacking energy: -92.561
Base-Backbone interact. energy: 0.159
local terms energy: -212.721431
where:
bonds (distance) C4'-P energy: -51.571
bonds (distance) P-C4' energy: -79.072
flat angles C4'-P-C4' energy: -68.332
flat angles P-C4'-P energy: -31.234
tors. eta vs tors. theta energy: 17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -401.394266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.394266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.394266 (E_RNA)
where:
Base-Base interactions energy: -166.832
where: short stacking energy: -95.937
Base-Backbone interact. energy: 4.480
local terms energy: -239.042390
where:
bonds (distance) C4'-P energy: -62.764
bonds (distance) P-C4' energy: -59.817
flat angles C4'-P-C4' energy: -66.535
flat angles P-C4'-P energy: -50.509
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1414.810404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.810404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.810404 (E_RNA)
where:
Base-Base interactions energy: -981.912
where: short stacking energy: -414.836
Base-Backbone interact. energy: -3.262
local terms energy: -429.636247
where:
bonds (distance) C4'-P energy: -74.492
bonds (distance) P-C4' energy: -83.594
flat angles C4'-P-C4' energy: -82.899
flat angles P-C4'-P energy: -61.907
tors. eta vs tors. theta energy: -126.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1366.347313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.347313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.347313 (E_RNA)
where:
Base-Base interactions energy: -942.017
where: short stacking energy: -359.979
Base-Backbone interact. energy: -2.071
local terms energy: -422.259202
where:
bonds (distance) C4'-P energy: -73.951
bonds (distance) P-C4' energy: -82.240
flat angles C4'-P-C4' energy: -88.252
flat angles P-C4'-P energy: -52.027
tors. eta vs tors. theta energy: -125.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1340.599151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.599151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.599151 (E_RNA)
where:
Base-Base interactions energy: -913.895
where: short stacking energy: -381.557
Base-Backbone interact. energy: 0.047
local terms energy: -426.751857
where:
bonds (distance) C4'-P energy: -83.374
bonds (distance) P-C4' energy: -85.510
flat angles C4'-P-C4' energy: -84.448
flat angles P-C4'-P energy: -51.450
tors. eta vs tors. theta energy: -121.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1211.343686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.343686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.343686 (E_RNA)
where:
Base-Base interactions energy: -812.404
where: short stacking energy: -348.454
Base-Backbone interact. energy: -1.293
local terms energy: -397.647080
where:
bonds (distance) C4'-P energy: -69.341
bonds (distance) P-C4' energy: -78.136
flat angles C4'-P-C4' energy: -90.749
flat angles P-C4'-P energy: -52.317
tors. eta vs tors. theta energy: -107.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1115.056811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.056811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.056811 (E_RNA)
where:
Base-Base interactions energy: -753.770
where: short stacking energy: -317.539
Base-Backbone interact. energy: -0.964
local terms energy: -360.322933
where:
bonds (distance) C4'-P energy: -63.872
bonds (distance) P-C4' energy: -77.177
flat angles C4'-P-C4' energy: -85.832
flat angles P-C4'-P energy: -51.533
tors. eta vs tors. theta energy: -81.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1114.494880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.494880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.494880 (E_RNA)
where:
Base-Base interactions energy: -758.696
where: short stacking energy: -317.369
Base-Backbone interact. energy: -0.747
local terms energy: -355.051913
where:
bonds (distance) C4'-P energy: -70.902
bonds (distance) P-C4' energy: -61.574
flat angles C4'-P-C4' energy: -75.263
flat angles P-C4'-P energy: -55.997
tors. eta vs tors. theta energy: -91.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -999.511478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.511478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.511478 (E_RNA)
where:
Base-Base interactions energy: -668.688
where: short stacking energy: -304.808
Base-Backbone interact. energy: 2.151
local terms energy: -332.973805
where:
bonds (distance) C4'-P energy: -43.750
bonds (distance) P-C4' energy: -71.246
flat angles C4'-P-C4' energy: -81.528
flat angles P-C4'-P energy: -48.513
tors. eta vs tors. theta energy: -87.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -614.752656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.752656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.752656 (E_RNA)
where:
Base-Base interactions energy: -338.039
where: short stacking energy: -163.737
Base-Backbone interact. energy: -2.840
local terms energy: -273.873731
where:
bonds (distance) C4'-P energy: -72.077
bonds (distance) P-C4' energy: -66.958
flat angles C4'-P-C4' energy: -62.211
flat angles P-C4'-P energy: -46.634
tors. eta vs tors. theta energy: -25.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -327.796605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.796605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.796605 (E_RNA)
where:
Base-Base interactions energy: -119.103
where: short stacking energy: -114.685
Base-Backbone interact. energy: -0.108
local terms energy: -208.584988
where:
bonds (distance) C4'-P energy: -69.880
bonds (distance) P-C4' energy: -60.363
flat angles C4'-P-C4' energy: -46.260
flat angles P-C4'-P energy: -40.165
tors. eta vs tors. theta energy: 8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -380.739312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.739312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.739312 (E_RNA)
where:
Base-Base interactions energy: -174.623
where: short stacking energy: -102.459
Base-Backbone interact. energy: -1.146
local terms energy: -204.970793
where:
bonds (distance) C4'-P energy: -60.241
bonds (distance) P-C4' energy: -71.208
flat angles C4'-P-C4' energy: -53.639
flat angles P-C4'-P energy: -32.677
tors. eta vs tors. theta energy: 12.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1421.036310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.036310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.036310 (E_RNA)
where:
Base-Base interactions energy: -965.600
where: short stacking energy: -410.241
Base-Backbone interact. energy: 0.222
local terms energy: -455.658335
where:
bonds (distance) C4'-P energy: -73.178
bonds (distance) P-C4' energy: -91.414
flat angles C4'-P-C4' energy: -90.777
flat angles P-C4'-P energy: -66.449
tors. eta vs tors. theta energy: -133.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1369.634343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.634343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.634343 (E_RNA)
where:
Base-Base interactions energy: -948.330
where: short stacking energy: -389.287
Base-Backbone interact. energy: 1.721
local terms energy: -423.025345
where:
bonds (distance) C4'-P energy: -83.316
bonds (distance) P-C4' energy: -71.855
flat angles C4'-P-C4' energy: -86.534
flat angles P-C4'-P energy: -58.638
tors. eta vs tors. theta energy: -122.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1317.761051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.761051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.761051 (E_RNA)
where:
Base-Base interactions energy: -907.712
where: short stacking energy: -366.449
Base-Backbone interact. energy: -2.273
local terms energy: -407.775714
where:
bonds (distance) C4'-P energy: -75.355
bonds (distance) P-C4' energy: -79.170
flat angles C4'-P-C4' energy: -88.532
flat angles P-C4'-P energy: -57.567
tors. eta vs tors. theta energy: -107.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1224.400641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.400641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.400641 (E_RNA)
where:
Base-Base interactions energy: -823.434
where: short stacking energy: -339.890
Base-Backbone interact. energy: -1.768
local terms energy: -399.198242
where:
bonds (distance) C4'-P energy: -70.256
bonds (distance) P-C4' energy: -84.760
flat angles C4'-P-C4' energy: -81.683
flat angles P-C4'-P energy: -54.175
tors. eta vs tors. theta energy: -108.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1113.413585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.413585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.413585 (E_RNA)
where:
Base-Base interactions energy: -737.906
where: short stacking energy: -310.035
Base-Backbone interact. energy: 0.186
local terms energy: -375.693362
where:
bonds (distance) C4'-P energy: -68.697
bonds (distance) P-C4' energy: -88.413
flat angles C4'-P-C4' energy: -74.715
flat angles P-C4'-P energy: -60.551
tors. eta vs tors. theta energy: -83.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1053.759051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.759051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.759051 (E_RNA)
where:
Base-Base interactions energy: -700.845
where: short stacking energy: -301.937
Base-Backbone interact. energy: -3.492
local terms energy: -349.422636
where:
bonds (distance) C4'-P energy: -61.697
bonds (distance) P-C4' energy: -69.563
flat angles C4'-P-C4' energy: -75.682
flat angles P-C4'-P energy: -56.631
tors. eta vs tors. theta energy: -85.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -947.504242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.504242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.504242 (E_RNA)
where:
Base-Base interactions energy: -623.117
where: short stacking energy: -295.051
Base-Backbone interact. energy: -1.098
local terms energy: -323.288788
where:
bonds (distance) C4'-P energy: -56.627
bonds (distance) P-C4' energy: -63.110
flat angles C4'-P-C4' energy: -76.704
flat angles P-C4'-P energy: -44.943
tors. eta vs tors. theta energy: -81.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -579.396782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.396782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.396782 (E_RNA)
where:
Base-Base interactions energy: -319.273
where: short stacking energy: -158.353
Base-Backbone interact. energy: 4.926
local terms energy: -265.050068
where:
bonds (distance) C4'-P energy: -55.714
bonds (distance) P-C4' energy: -65.074
flat angles C4'-P-C4' energy: -74.685
flat angles P-C4'-P energy: -47.920
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -425.466577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.466577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.466577 (E_RNA)
where:
Base-Base interactions energy: -206.511
where: short stacking energy: -112.870
Base-Backbone interact. energy: -1.378
local terms energy: -217.577715
where:
bonds (distance) C4'-P energy: -64.184
bonds (distance) P-C4' energy: -77.400
flat angles C4'-P-C4' energy: -55.960
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: 3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -308.130136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.130136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.130136 (E_RNA)
where:
Base-Base interactions energy: -110.033
where: short stacking energy: -88.968
Base-Backbone interact. energy: -0.714
local terms energy: -197.382703
where:
bonds (distance) C4'-P energy: -63.607
bonds (distance) P-C4' energy: -78.982
flat angles C4'-P-C4' energy: -45.242
flat angles P-C4'-P energy: -18.569
tors. eta vs tors. theta energy: 9.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1428.907625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.907625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.907625 (E_RNA)
where:
Base-Base interactions energy: -981.756
where: short stacking energy: -401.466
Base-Backbone interact. energy: -1.173
local terms energy: -445.979451
where:
bonds (distance) C4'-P energy: -73.034
bonds (distance) P-C4' energy: -83.263
flat angles C4'-P-C4' energy: -90.009
flat angles P-C4'-P energy: -64.382
tors. eta vs tors. theta energy: -135.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1341.604469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.604469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.604469 (E_RNA)
where:
Base-Base interactions energy: -922.897
where: short stacking energy: -372.444
Base-Backbone interact. energy: -3.887
local terms energy: -414.820859
where:
bonds (distance) C4'-P energy: -73.593
bonds (distance) P-C4' energy: -82.624
flat angles C4'-P-C4' energy: -78.367
flat angles P-C4'-P energy: -62.672
tors. eta vs tors. theta energy: -117.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1340.072466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.072466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.072466 (E_RNA)
where:
Base-Base interactions energy: -916.461
where: short stacking energy: -372.904
Base-Backbone interact. energy: -2.044
local terms energy: -421.567143
where:
bonds (distance) C4'-P energy: -75.153
bonds (distance) P-C4' energy: -91.590
flat angles C4'-P-C4' energy: -84.298
flat angles P-C4'-P energy: -49.093
tors. eta vs tors. theta energy: -121.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1246.575358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.575358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.575358 (E_RNA)
where:
Base-Base interactions energy: -877.813
where: short stacking energy: -354.150
Base-Backbone interact. energy: 0.894
local terms energy: -369.657225
where:
bonds (distance) C4'-P energy: -65.155
bonds (distance) P-C4' energy: -62.191
flat angles C4'-P-C4' energy: -80.097
flat angles P-C4'-P energy: -59.481
tors. eta vs tors. theta energy: -102.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1098.636662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.636662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.636662 (E_RNA)
where:
Base-Base interactions energy: -752.363
where: short stacking energy: -302.430
Base-Backbone interact. energy: -3.698
local terms energy: -342.576292
where:
bonds (distance) C4'-P energy: -67.103
bonds (distance) P-C4' energy: -69.191
flat angles C4'-P-C4' energy: -73.332
flat angles P-C4'-P energy: -52.575
tors. eta vs tors. theta energy: -80.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1017.925843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.925843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.925843 (E_RNA)
where:
Base-Base interactions energy: -661.376
where: short stacking energy: -259.588
Base-Backbone interact. energy: 0.333
local terms energy: -356.882716
where:
bonds (distance) C4'-P energy: -62.041
bonds (distance) P-C4' energy: -74.849
flat angles C4'-P-C4' energy: -84.890
flat angles P-C4'-P energy: -55.971
tors. eta vs tors. theta energy: -79.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -973.768803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.768803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.768803 (E_RNA)
where:
Base-Base interactions energy: -636.811
where: short stacking energy: -263.708
Base-Backbone interact. energy: -2.169
local terms energy: -334.788938
where:
bonds (distance) C4'-P energy: -66.226
bonds (distance) P-C4' energy: -66.121
flat angles C4'-P-C4' energy: -76.747
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -77.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -549.717782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.717782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.717782 (E_RNA)
where:
Base-Base interactions energy: -295.715
where: short stacking energy: -131.185
Base-Backbone interact. energy: -1.716
local terms energy: -252.286157
where:
bonds (distance) C4'-P energy: -69.707
bonds (distance) P-C4' energy: -80.891
flat angles C4'-P-C4' energy: -61.859
flat angles P-C4'-P energy: -32.065
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -466.953750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.953750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.953750 (E_RNA)
where:
Base-Base interactions energy: -225.468
where: short stacking energy: -125.692
Base-Backbone interact. energy: -0.571
local terms energy: -240.914555
where:
bonds (distance) C4'-P energy: -72.181
bonds (distance) P-C4' energy: -55.045
flat angles C4'-P-C4' energy: -67.844
flat angles P-C4'-P energy: -41.773
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -320.793053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.793053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.793053 (E_RNA)
where:
Base-Base interactions energy: -115.512
where: short stacking energy: -102.123
Base-Backbone interact. energy: -1.235
local terms energy: -204.046022
where:
bonds (distance) C4'-P energy: -73.026
bonds (distance) P-C4' energy: -65.868
flat angles C4'-P-C4' energy: -40.224
flat angles P-C4'-P energy: -31.570
tors. eta vs tors. theta energy: 6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1416.930956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.930956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.930956 (E_RNA)
where:
Base-Base interactions energy: -979.519
where: short stacking energy: -419.947
Base-Backbone interact. energy: -1.040
local terms energy: -436.372776
where:
bonds (distance) C4'-P energy: -78.823
bonds (distance) P-C4' energy: -83.704
flat angles C4'-P-C4' energy: -92.359
flat angles P-C4'-P energy: -54.448
tors. eta vs tors. theta energy: -127.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1371.652497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.652497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.652497 (E_RNA)
where:
Base-Base interactions energy: -965.920
where: short stacking energy: -387.657
Base-Backbone interact. energy: -1.951
local terms energy: -403.781605
where:
bonds (distance) C4'-P energy: -61.045
bonds (distance) P-C4' energy: -80.314
flat angles C4'-P-C4' energy: -86.620
flat angles P-C4'-P energy: -58.158
tors. eta vs tors. theta energy: -117.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1333.678361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.678361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.678361 (E_RNA)
where:
Base-Base interactions energy: -918.009
where: short stacking energy: -381.918
Base-Backbone interact. energy: -1.829
local terms energy: -413.840497
where:
bonds (distance) C4'-P energy: -79.330
bonds (distance) P-C4' energy: -65.645
flat angles C4'-P-C4' energy: -92.139
flat angles P-C4'-P energy: -56.594
tors. eta vs tors. theta energy: -120.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1236.520287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.520287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.520287 (E_RNA)
where:
Base-Base interactions energy: -842.340
where: short stacking energy: -361.682
Base-Backbone interact. energy: -2.526
local terms energy: -391.654633
where:
bonds (distance) C4'-P energy: -82.786
bonds (distance) P-C4' energy: -72.276
flat angles C4'-P-C4' energy: -78.550
flat angles P-C4'-P energy: -52.177
tors. eta vs tors. theta energy: -105.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1164.292478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.292478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.292478 (E_RNA)
where:
Base-Base interactions energy: -796.677
where: short stacking energy: -329.529
Base-Backbone interact. energy: -0.901
local terms energy: -366.713953
where:
bonds (distance) C4'-P energy: -60.457
bonds (distance) P-C4' energy: -75.961
flat angles C4'-P-C4' energy: -85.275
flat angles P-C4'-P energy: -51.704
tors. eta vs tors. theta energy: -93.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1030.990577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.990577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.990577 (E_RNA)
where:
Base-Base interactions energy: -689.177
where: short stacking energy: -286.322
Base-Backbone interact. energy: -0.690
local terms energy: -341.123884
where:
bonds (distance) C4'-P energy: -65.592
bonds (distance) P-C4' energy: -71.277
flat angles C4'-P-C4' energy: -70.582
flat angles P-C4'-P energy: -60.637
tors. eta vs tors. theta energy: -73.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -974.187140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.187140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.187140 (E_RNA)
where:
Base-Base interactions energy: -642.996
where: short stacking energy: -271.753
Base-Backbone interact. energy: -0.939
local terms energy: -330.252102
where:
bonds (distance) C4'-P energy: -70.796
bonds (distance) P-C4' energy: -57.675
flat angles C4'-P-C4' energy: -74.613
flat angles P-C4'-P energy: -53.723
tors. eta vs tors. theta energy: -73.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -593.771012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.771012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.771012 (E_RNA)
where:
Base-Base interactions energy: -338.181
where: short stacking energy: -170.634
Base-Backbone interact. energy: -0.154
local terms energy: -255.436128
where:
bonds (distance) C4'-P energy: -79.480
bonds (distance) P-C4' energy: -62.868
flat angles C4'-P-C4' energy: -66.159
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -25.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -346.541525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.541525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.541525 (E_RNA)
where:
Base-Base interactions energy: -130.451
where: short stacking energy: -111.357
Base-Backbone interact. energy: 6.253
local terms energy: -222.343394
where:
bonds (distance) C4'-P energy: -59.108
bonds (distance) P-C4' energy: -71.155
flat angles C4'-P-C4' energy: -59.675
flat angles P-C4'-P energy: -33.864
tors. eta vs tors. theta energy: 1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -401.226758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.226758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.226758 (E_RNA)
where:
Base-Base interactions energy: -184.081
where: short stacking energy: -107.247
Base-Backbone interact. energy: 1.807
local terms energy: -218.952412
where:
bonds (distance) C4'-P energy: -55.779
bonds (distance) P-C4' energy: -75.838
flat angles C4'-P-C4' energy: -62.263
flat angles P-C4'-P energy: -29.313
tors. eta vs tors. theta energy: 4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1423.431275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.431275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.431275 (E_RNA)
where:
Base-Base interactions energy: -974.340
where: short stacking energy: -419.563
Base-Backbone interact. energy: -1.216
local terms energy: -447.875539
where:
bonds (distance) C4'-P energy: -76.811
bonds (distance) P-C4' energy: -76.739
flat angles C4'-P-C4' energy: -102.479
flat angles P-C4'-P energy: -64.695
tors. eta vs tors. theta energy: -127.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1362.979750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.979750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.979750 (E_RNA)
where:
Base-Base interactions energy: -943.367
where: short stacking energy: -402.348
Base-Backbone interact. energy: -1.671
local terms energy: -417.941179
where:
bonds (distance) C4'-P energy: -78.898
bonds (distance) P-C4' energy: -79.979
flat angles C4'-P-C4' energy: -90.826
flat angles P-C4'-P energy: -49.610
tors. eta vs tors. theta energy: -118.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1307.002842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.002842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.002842 (E_RNA)
where:
Base-Base interactions energy: -902.122
where: short stacking energy: -372.796
Base-Backbone interact. energy: -3.759
local terms energy: -401.122368
where:
bonds (distance) C4'-P energy: -67.240
bonds (distance) P-C4' energy: -64.174
flat angles C4'-P-C4' energy: -93.244
flat angles P-C4'-P energy: -59.249
tors. eta vs tors. theta energy: -117.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1251.805010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.805010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.805010 (E_RNA)
where:
Base-Base interactions energy: -864.462
where: short stacking energy: -371.211
Base-Backbone interact. energy: -3.133
local terms energy: -384.209528
where:
bonds (distance) C4'-P energy: -71.584
bonds (distance) P-C4' energy: -74.859
flat angles C4'-P-C4' energy: -78.643
flat angles P-C4'-P energy: -53.532
tors. eta vs tors. theta energy: -105.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1158.397622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.397622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.397622 (E_RNA)
where:
Base-Base interactions energy: -784.495
where: short stacking energy: -335.259
Base-Backbone interact. energy: -1.811
local terms energy: -372.091117
where:
bonds (distance) C4'-P energy: -64.634
bonds (distance) P-C4' energy: -68.636
flat angles C4'-P-C4' energy: -80.398
flat angles P-C4'-P energy: -65.262
tors. eta vs tors. theta energy: -93.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1054.660044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.660044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.660044 (E_RNA)
where:
Base-Base interactions energy: -717.165
where: short stacking energy: -310.348
Base-Backbone interact. energy: -1.218
local terms energy: -336.276838
where:
bonds (distance) C4'-P energy: -73.922
bonds (distance) P-C4' energy: -58.657
flat angles C4'-P-C4' energy: -77.051
flat angles P-C4'-P energy: -43.018
tors. eta vs tors. theta energy: -83.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -939.834933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.834933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.834933 (E_RNA)
where:
Base-Base interactions energy: -637.702
where: short stacking energy: -278.953
Base-Backbone interact. energy: -0.527
local terms energy: -301.605883
where:
bonds (distance) C4'-P energy: -58.034
bonds (distance) P-C4' energy: -66.759
flat angles C4'-P-C4' energy: -63.824
flat angles P-C4'-P energy: -41.025
tors. eta vs tors. theta energy: -71.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -531.646958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.646958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.646958 (E_RNA)
where:
Base-Base interactions energy: -278.945
where: short stacking energy: -168.031
Base-Backbone interact. energy: 1.614
local terms energy: -254.316205
where:
bonds (distance) C4'-P energy: -72.825
bonds (distance) P-C4' energy: -74.264
flat angles C4'-P-C4' energy: -59.384
flat angles P-C4'-P energy: -30.918
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -337.504699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.504699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.504699 (E_RNA)
where:
Base-Base interactions energy: -100.072
where: short stacking energy: -77.203
Base-Backbone interact. energy: -1.728
local terms energy: -235.704673
where:
bonds (distance) C4'-P energy: -67.372
bonds (distance) P-C4' energy: -58.900
flat angles C4'-P-C4' energy: -75.269
flat angles P-C4'-P energy: -47.731
tors. eta vs tors. theta energy: 13.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -437.005270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.005270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.005270 (E_RNA)
where:
Base-Base interactions energy: -205.296
where: short stacking energy: -120.981
Base-Backbone interact. energy: -0.253
local terms energy: -231.456820
where:
bonds (distance) C4'-P energy: -54.217
bonds (distance) P-C4' energy: -72.089
flat angles C4'-P-C4' energy: -56.326
flat angles P-C4'-P energy: -46.224
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1404.203438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.203438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.203438 (E_RNA)
where:
Base-Base interactions energy: -967.715
where: short stacking energy: -400.644
Base-Backbone interact. energy: -1.521
local terms energy: -434.967602
where:
bonds (distance) C4'-P energy: -81.502
bonds (distance) P-C4' energy: -85.035
flat angles C4'-P-C4' energy: -91.290
flat angles P-C4'-P energy: -63.616
tors. eta vs tors. theta energy: -113.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1397.107350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.107350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.107350 (E_RNA)
where:
Base-Base interactions energy: -952.337
where: short stacking energy: -407.348
Base-Backbone interact. energy: -2.479
local terms energy: -442.290956
where:
bonds (distance) C4'-P energy: -84.703
bonds (distance) P-C4' energy: -76.704
flat angles C4'-P-C4' energy: -87.216
flat angles P-C4'-P energy: -63.364
tors. eta vs tors. theta energy: -130.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1305.481380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.481380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.481380 (E_RNA)
where:
Base-Base interactions energy: -902.669
where: short stacking energy: -373.548
Base-Backbone interact. energy: -1.008
local terms energy: -401.804907
where:
bonds (distance) C4'-P energy: -72.918
bonds (distance) P-C4' energy: -81.371
flat angles C4'-P-C4' energy: -89.300
flat angles P-C4'-P energy: -50.665
tors. eta vs tors. theta energy: -107.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1205.368252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.368252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.368252 (E_RNA)
where:
Base-Base interactions energy: -801.502
where: short stacking energy: -325.311
Base-Backbone interact. energy: -1.943
local terms energy: -401.923656
where:
bonds (distance) C4'-P energy: -76.720
bonds (distance) P-C4' energy: -86.863
flat angles C4'-P-C4' energy: -82.430
flat angles P-C4'-P energy: -47.108
tors. eta vs tors. theta energy: -108.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1154.427450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.427450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.427450 (E_RNA)
where:
Base-Base interactions energy: -770.960
where: short stacking energy: -302.241
Base-Backbone interact. energy: -0.223
local terms energy: -383.244391
where:
bonds (distance) C4'-P energy: -71.226
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -83.682
flat angles P-C4'-P energy: -69.961
tors. eta vs tors. theta energy: -86.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1079.926184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.926184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.926184 (E_RNA)
where:
Base-Base interactions energy: -715.019
where: short stacking energy: -300.156
Base-Backbone interact. energy: 0.948
local terms energy: -365.855170
where:
bonds (distance) C4'-P energy: -70.954
bonds (distance) P-C4' energy: -73.186
flat angles C4'-P-C4' energy: -77.780
flat angles P-C4'-P energy: -54.147
tors. eta vs tors. theta energy: -89.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -907.544761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.544761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.544761 (E_RNA)
where:
Base-Base interactions energy: -598.047
where: short stacking energy: -254.883
Base-Backbone interact. energy: 0.809
local terms energy: -310.305854
where:
bonds (distance) C4'-P energy: -62.055
bonds (distance) P-C4' energy: -73.276
flat angles C4'-P-C4' energy: -64.744
flat angles P-C4'-P energy: -38.533
tors. eta vs tors. theta energy: -71.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -562.539379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.539379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.539379 (E_RNA)
where:
Base-Base interactions energy: -294.447
where: short stacking energy: -151.184
Base-Backbone interact. energy: 0.882
local terms energy: -268.974342
where:
bonds (distance) C4'-P energy: -72.494
bonds (distance) P-C4' energy: -66.058
flat angles C4'-P-C4' energy: -79.175
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: -12.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -435.762086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.762086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.762086 (E_RNA)
where:
Base-Base interactions energy: -201.323
where: short stacking energy: -125.544
Base-Backbone interact. energy: 2.852
local terms energy: -237.291158
where:
bonds (distance) C4'-P energy: -69.653
bonds (distance) P-C4' energy: -72.633
flat angles C4'-P-C4' energy: -48.165
flat angles P-C4'-P energy: -32.068
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -321.467734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.467734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.467734 (E_RNA)
where:
Base-Base interactions energy: -122.781
where: short stacking energy: -93.236
Base-Backbone interact. energy: 3.370
local terms energy: -202.056803
where:
bonds (distance) C4'-P energy: -51.514
bonds (distance) P-C4' energy: -66.331
flat angles C4'-P-C4' energy: -71.386
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: 9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1388.032132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.032132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.032132 (E_RNA)
where:
Base-Base interactions energy: -944.026
where: short stacking energy: -385.289
Base-Backbone interact. energy: -2.073
local terms energy: -441.933056
where:
bonds (distance) C4'-P energy: -86.692
bonds (distance) P-C4' energy: -79.327
flat angles C4'-P-C4' energy: -88.855
flat angles P-C4'-P energy: -64.891
tors. eta vs tors. theta energy: -122.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1403.851993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.851993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.851993 (E_RNA)
where:
Base-Base interactions energy: -974.976
where: short stacking energy: -414.711
Base-Backbone interact. energy: 3.549
local terms energy: -432.425843
where:
bonds (distance) C4'-P energy: -76.629
bonds (distance) P-C4' energy: -70.546
flat angles C4'-P-C4' energy: -89.886
flat angles P-C4'-P energy: -59.850
tors. eta vs tors. theta energy: -135.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1294.956677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.956677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.956677 (E_RNA)
where:
Base-Base interactions energy: -879.918
where: short stacking energy: -373.406
Base-Backbone interact. energy: -0.311
local terms energy: -414.727663
where:
bonds (distance) C4'-P energy: -82.919
bonds (distance) P-C4' energy: -75.525
flat angles C4'-P-C4' energy: -82.111
flat angles P-C4'-P energy: -62.711
tors. eta vs tors. theta energy: -111.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1223.107820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.107820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.107820 (E_RNA)
where:
Base-Base interactions energy: -826.783
where: short stacking energy: -359.106
Base-Backbone interact. energy: 0.187
local terms energy: -396.511631
where:
bonds (distance) C4'-P energy: -74.574
bonds (distance) P-C4' energy: -79.583
flat angles C4'-P-C4' energy: -80.571
flat angles P-C4'-P energy: -53.523
tors. eta vs tors. theta energy: -108.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1170.758948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.758948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.758948 (E_RNA)
where:
Base-Base interactions energy: -791.316
where: short stacking energy: -314.733
Base-Backbone interact. energy: -1.241
local terms energy: -378.202262
where:
bonds (distance) C4'-P energy: -76.123
bonds (distance) P-C4' energy: -73.649
flat angles C4'-P-C4' energy: -82.624
flat angles P-C4'-P energy: -49.603
tors. eta vs tors. theta energy: -96.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1097.881176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.881176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.881176 (E_RNA)
where:
Base-Base interactions energy: -736.233
where: short stacking energy: -307.182
Base-Backbone interact. energy: -1.165
local terms energy: -360.483052
where:
bonds (distance) C4'-P energy: -79.417
bonds (distance) P-C4' energy: -65.765
flat angles C4'-P-C4' energy: -79.198
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -95.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -892.438840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.438840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.438840 (E_RNA)
where:
Base-Base interactions energy: -568.932
where: short stacking energy: -233.032
Base-Backbone interact. energy: -0.711
local terms energy: -322.795903
where:
bonds (distance) C4'-P energy: -59.084
bonds (distance) P-C4' energy: -83.384
flat angles C4'-P-C4' energy: -74.906
flat angles P-C4'-P energy: -49.028
tors. eta vs tors. theta energy: -56.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -566.764143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.764143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.764143 (E_RNA)
where:
Base-Base interactions energy: -310.058
where: short stacking energy: -139.407
Base-Backbone interact. energy: -1.047
local terms energy: -255.659273
where:
bonds (distance) C4'-P energy: -66.332
bonds (distance) P-C4' energy: -58.793
flat angles C4'-P-C4' energy: -65.890
flat angles P-C4'-P energy: -38.475
tors. eta vs tors. theta energy: -26.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -413.362842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.362842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.362842 (E_RNA)
where:
Base-Base interactions energy: -209.515
where: short stacking energy: -116.430
Base-Backbone interact. energy: 0.931
local terms energy: -204.778874
where:
bonds (distance) C4'-P energy: -69.809
bonds (distance) P-C4' energy: -71.402
flat angles C4'-P-C4' energy: -39.027
flat angles P-C4'-P energy: -30.790
tors. eta vs tors. theta energy: 6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -337.461963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.461963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.461963 (E_RNA)
where:
Base-Base interactions energy: -141.909
where: short stacking energy: -122.340
Base-Backbone interact. energy: 2.288
local terms energy: -197.841195
where:
bonds (distance) C4'-P energy: -57.931
bonds (distance) P-C4' energy: -62.834
flat angles C4'-P-C4' energy: -60.712
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: 10.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1410.880099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.880099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.880099 (E_RNA)
where:
Base-Base interactions energy: -980.774
where: short stacking energy: -395.159
Base-Backbone interact. energy: -1.041
local terms energy: -429.065021
where:
bonds (distance) C4'-P energy: -74.137
bonds (distance) P-C4' energy: -87.326
flat angles C4'-P-C4' energy: -97.166
flat angles P-C4'-P energy: -50.251
tors. eta vs tors. theta energy: -120.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1410.990207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.990207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.990207 (E_RNA)
where:
Base-Base interactions energy: -975.721
where: short stacking energy: -420.153
Base-Backbone interact. energy: -1.988
local terms energy: -433.281023
where:
bonds (distance) C4'-P energy: -63.847
bonds (distance) P-C4' energy: -78.821
flat angles C4'-P-C4' energy: -98.042
flat angles P-C4'-P energy: -61.508
tors. eta vs tors. theta energy: -131.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1327.892368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.892368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.892368 (E_RNA)
where:
Base-Base interactions energy: -917.496
where: short stacking energy: -380.674
Base-Backbone interact. energy: -1.351
local terms energy: -409.045107
where:
bonds (distance) C4'-P energy: -84.091
bonds (distance) P-C4' energy: -80.943
flat angles C4'-P-C4' energy: -74.368
flat angles P-C4'-P energy: -59.611
tors. eta vs tors. theta energy: -110.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1219.971925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.971925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.971925 (E_RNA)
where:
Base-Base interactions energy: -822.906
where: short stacking energy: -352.193
Base-Backbone interact. energy: -1.955
local terms energy: -395.110925
where:
bonds (distance) C4'-P energy: -68.648
bonds (distance) P-C4' energy: -69.045
flat angles C4'-P-C4' energy: -78.867
flat angles P-C4'-P energy: -65.777
tors. eta vs tors. theta energy: -112.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1158.113453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.113453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.113453 (E_RNA)
where:
Base-Base interactions energy: -797.612
where: short stacking energy: -329.861
Base-Backbone interact. energy: -0.708
local terms energy: -359.793647
where:
bonds (distance) C4'-P energy: -57.069
bonds (distance) P-C4' energy: -76.551
flat angles C4'-P-C4' energy: -81.905
flat angles P-C4'-P energy: -50.105
tors. eta vs tors. theta energy: -94.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1103.270917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.270917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.270917 (E_RNA)
where:
Base-Base interactions energy: -746.628
where: short stacking energy: -315.028
Base-Backbone interact. energy: 0.489
local terms energy: -357.132171
where:
bonds (distance) C4'-P energy: -53.976
bonds (distance) P-C4' energy: -67.027
flat angles C4'-P-C4' energy: -86.420
flat angles P-C4'-P energy: -57.411
tors. eta vs tors. theta energy: -92.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -845.970366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.970366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.970366 (E_RNA)
where:
Base-Base interactions energy: -539.914
where: short stacking energy: -257.975
Base-Backbone interact. energy: -1.868
local terms energy: -304.188287
where:
bonds (distance) C4'-P energy: -64.041
bonds (distance) P-C4' energy: -55.219
flat angles C4'-P-C4' energy: -70.782
flat angles P-C4'-P energy: -46.258
tors. eta vs tors. theta energy: -67.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -543.859872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.859872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.859872 (E_RNA)
where:
Base-Base interactions energy: -314.594
where: short stacking energy: -157.363
Base-Backbone interact. energy: -2.572
local terms energy: -226.694379
where:
bonds (distance) C4'-P energy: -66.890
bonds (distance) P-C4' energy: -50.947
flat angles C4'-P-C4' energy: -58.400
flat angles P-C4'-P energy: -38.736
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -462.282735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.282735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.282735 (E_RNA)
where:
Base-Base interactions energy: -214.980
where: short stacking energy: -123.364
Base-Backbone interact. energy: -2.060
local terms energy: -245.242047
where:
bonds (distance) C4'-P energy: -63.731
bonds (distance) P-C4' energy: -76.370
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -45.045
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -350.343627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.343627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.343627 (E_RNA)
where:
Base-Base interactions energy: -117.931
where: short stacking energy: -100.216
Base-Backbone interact. energy: 1.131
local terms energy: -233.543780
where:
bonds (distance) C4'-P energy: -73.459
bonds (distance) P-C4' energy: -76.451
flat angles C4'-P-C4' energy: -57.716
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1398.706285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.706285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.706285 (E_RNA)
where:
Base-Base interactions energy: -975.577
where: short stacking energy: -402.972
Base-Backbone interact. energy: -1.898
local terms energy: -421.231230
where:
bonds (distance) C4'-P energy: -82.914
bonds (distance) P-C4' energy: -64.204
flat angles C4'-P-C4' energy: -93.236
flat angles P-C4'-P energy: -52.083
tors. eta vs tors. theta energy: -128.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1393.410786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.410786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.410786 (E_RNA)
where:
Base-Base interactions energy: -964.606
where: short stacking energy: -408.383
Base-Backbone interact. energy: 0.588
local terms energy: -429.392725
where:
bonds (distance) C4'-P energy: -76.868
bonds (distance) P-C4' energy: -79.173
flat angles C4'-P-C4' energy: -89.881
flat angles P-C4'-P energy: -61.698
tors. eta vs tors. theta energy: -121.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1344.655215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.655215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.655215 (E_RNA)
where:
Base-Base interactions energy: -941.015
where: short stacking energy: -396.682
Base-Backbone interact. energy: -3.330
local terms energy: -400.310028
where:
bonds (distance) C4'-P energy: -70.484
bonds (distance) P-C4' energy: -67.448
flat angles C4'-P-C4' energy: -88.409
flat angles P-C4'-P energy: -52.328
tors. eta vs tors. theta energy: -121.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1243.201691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.201691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.201691 (E_RNA)
where:
Base-Base interactions energy: -835.071
where: short stacking energy: -362.127
Base-Backbone interact. energy: -1.416
local terms energy: -406.715255
where:
bonds (distance) C4'-P energy: -78.765
bonds (distance) P-C4' energy: -71.382
flat angles C4'-P-C4' energy: -82.442
flat angles P-C4'-P energy: -62.250
tors. eta vs tors. theta energy: -111.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1146.463320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.463320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.463320 (E_RNA)
where:
Base-Base interactions energy: -787.454
where: short stacking energy: -328.468
Base-Backbone interact. energy: -3.718
local terms energy: -355.291295
where:
bonds (distance) C4'-P energy: -61.572
bonds (distance) P-C4' energy: -76.313
flat angles C4'-P-C4' energy: -68.306
flat angles P-C4'-P energy: -53.757
tors. eta vs tors. theta energy: -95.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1082.846086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.846086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.846086 (E_RNA)
where:
Base-Base interactions energy: -728.126
where: short stacking energy: -306.322
Base-Backbone interact. energy: 0.265
local terms energy: -354.984416
where:
bonds (distance) C4'-P energy: -65.341
bonds (distance) P-C4' energy: -64.642
flat angles C4'-P-C4' energy: -79.892
flat angles P-C4'-P energy: -51.867
tors. eta vs tors. theta energy: -93.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -827.860559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.860559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.860559 (E_RNA)
where:
Base-Base interactions energy: -546.551
where: short stacking energy: -251.003
Base-Backbone interact. energy: -0.279
local terms energy: -281.030301
where:
bonds (distance) C4'-P energy: -54.308
bonds (distance) P-C4' energy: -49.208
flat angles C4'-P-C4' energy: -71.298
flat angles P-C4'-P energy: -43.825
tors. eta vs tors. theta energy: -62.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -523.293015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.293015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.293015 (E_RNA)
where:
Base-Base interactions energy: -294.145
where: short stacking energy: -140.384
Base-Backbone interact. energy: -1.156
local terms energy: -227.992434
where:
bonds (distance) C4'-P energy: -67.808
bonds (distance) P-C4' energy: -66.895
flat angles C4'-P-C4' energy: -52.697
flat angles P-C4'-P energy: -38.282
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -432.303570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.303570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.303570 (E_RNA)
where:
Base-Base interactions energy: -217.912
where: short stacking energy: -122.730
Base-Backbone interact. energy: 1.416
local terms energy: -215.808279
where:
bonds (distance) C4'-P energy: -64.210
bonds (distance) P-C4' energy: -63.082
flat angles C4'-P-C4' energy: -62.929
flat angles P-C4'-P energy: -31.216
tors. eta vs tors. theta energy: 5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -317.738721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.738721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.738721 (E_RNA)
where:
Base-Base interactions energy: -100.540
where: short stacking energy: -81.963
Base-Backbone interact. energy: -0.110
local terms energy: -217.088216
where:
bonds (distance) C4'-P energy: -56.389
bonds (distance) P-C4' energy: -75.719
flat angles C4'-P-C4' energy: -55.372
flat angles P-C4'-P energy: -37.371
tors. eta vs tors. theta energy: 7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1403.275989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.275989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.275989 (E_RNA)
where:
Base-Base interactions energy: -963.956
where: short stacking energy: -388.287
Base-Backbone interact. energy: -1.147
local terms energy: -438.172349
where:
bonds (distance) C4'-P energy: -77.205
bonds (distance) P-C4' energy: -89.504
flat angles C4'-P-C4' energy: -85.691
flat angles P-C4'-P energy: -63.425
tors. eta vs tors. theta energy: -122.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1396.742294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.742294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.742294 (E_RNA)
where:
Base-Base interactions energy: -965.748
where: short stacking energy: -398.497
Base-Backbone interact. energy: -0.250
local terms energy: -430.744917
where:
bonds (distance) C4'-P energy: -74.853
bonds (distance) P-C4' energy: -76.829
flat angles C4'-P-C4' energy: -92.619
flat angles P-C4'-P energy: -58.527
tors. eta vs tors. theta energy: -127.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1331.023623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.023623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.023623 (E_RNA)
where:
Base-Base interactions energy: -920.165
where: short stacking energy: -373.959
Base-Backbone interact. energy: -0.270
local terms energy: -410.588915
where:
bonds (distance) C4'-P energy: -69.938
bonds (distance) P-C4' energy: -84.432
flat angles C4'-P-C4' energy: -83.471
flat angles P-C4'-P energy: -50.550
tors. eta vs tors. theta energy: -122.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1237.768707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.768707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.768707 (E_RNA)
where:
Base-Base interactions energy: -855.070
where: short stacking energy: -357.923
Base-Backbone interact. energy: -2.962
local terms energy: -379.736613
where:
bonds (distance) C4'-P energy: -65.162
bonds (distance) P-C4' energy: -74.749
flat angles C4'-P-C4' energy: -76.094
flat angles P-C4'-P energy: -58.420
tors. eta vs tors. theta energy: -105.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1129.089193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.089193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.089193 (E_RNA)
where:
Base-Base interactions energy: -760.266
where: short stacking energy: -316.148
Base-Backbone interact. energy: -2.511
local terms energy: -366.311878
where:
bonds (distance) C4'-P energy: -59.096
bonds (distance) P-C4' energy: -72.095
flat angles C4'-P-C4' energy: -82.704
flat angles P-C4'-P energy: -59.209
tors. eta vs tors. theta energy: -93.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1098.077769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.077769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.077769 (E_RNA)
where:
Base-Base interactions energy: -760.705
where: short stacking energy: -315.391
Base-Backbone interact. energy: 6.248
local terms energy: -343.621296
where:
bonds (distance) C4'-P energy: -62.390
bonds (distance) P-C4' energy: -68.155
flat angles C4'-P-C4' energy: -77.248
flat angles P-C4'-P energy: -41.035
tors. eta vs tors. theta energy: -94.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -872.686863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.686863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.686863 (E_RNA)
where:
Base-Base interactions energy: -547.789
where: short stacking energy: -257.487
Base-Backbone interact. energy: -2.075
local terms energy: -322.822771
where:
bonds (distance) C4'-P energy: -67.058
bonds (distance) P-C4' energy: -63.310
flat angles C4'-P-C4' energy: -78.075
flat angles P-C4'-P energy: -50.979
tors. eta vs tors. theta energy: -63.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -538.061989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.061989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.061989 (E_RNA)
where:
Base-Base interactions energy: -278.513
where: short stacking energy: -160.697
Base-Backbone interact. energy: 0.403
local terms energy: -259.951766
where:
bonds (distance) C4'-P energy: -64.932
bonds (distance) P-C4' energy: -66.895
flat angles C4'-P-C4' energy: -67.467
flat angles P-C4'-P energy: -41.882
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -524.423980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.423980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.423980 (E_RNA)
where:
Base-Base interactions energy: -304.667
where: short stacking energy: -137.130
Base-Backbone interact. energy: -0.230
local terms energy: -219.527167
where:
bonds (distance) C4'-P energy: -65.989
bonds (distance) P-C4' energy: -64.279
flat angles C4'-P-C4' energy: -56.992
flat angles P-C4'-P energy: -27.699
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -329.064512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.064512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.064512 (E_RNA)
where:
Base-Base interactions energy: -114.352
where: short stacking energy: -111.190
Base-Backbone interact. energy: 0.954
local terms energy: -215.666420
where:
bonds (distance) C4'-P energy: -65.239
bonds (distance) P-C4' energy: -63.529
flat angles C4'-P-C4' energy: -57.980
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1401.236490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.236490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.236490 (E_RNA)
where:
Base-Base interactions energy: -959.408
where: short stacking energy: -394.483
Base-Backbone interact. energy: 0.274
local terms energy: -442.101886
where:
bonds (distance) C4'-P energy: -75.645
bonds (distance) P-C4' energy: -81.858
flat angles C4'-P-C4' energy: -94.648
flat angles P-C4'-P energy: -62.256
tors. eta vs tors. theta energy: -127.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1379.071339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.071339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.071339 (E_RNA)
where:
Base-Base interactions energy: -951.828
where: short stacking energy: -408.195
Base-Backbone interact. energy: 1.233
local terms energy: -428.477221
where:
bonds (distance) C4'-P energy: -69.909
bonds (distance) P-C4' energy: -86.558
flat angles C4'-P-C4' energy: -85.589
flat angles P-C4'-P energy: -65.334
tors. eta vs tors. theta energy: -121.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1331.247086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.247086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.247086 (E_RNA)
where:
Base-Base interactions energy: -915.037
where: short stacking energy: -372.879
Base-Backbone interact. energy: -3.481
local terms energy: -412.729227
where:
bonds (distance) C4'-P energy: -73.321
bonds (distance) P-C4' energy: -75.925
flat angles C4'-P-C4' energy: -85.990
flat angles P-C4'-P energy: -59.782
tors. eta vs tors. theta energy: -117.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1236.642337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.642337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.642337 (E_RNA)
where:
Base-Base interactions energy: -850.651
where: short stacking energy: -367.973
Base-Backbone interact. energy: -1.195
local terms energy: -384.796406
where:
bonds (distance) C4'-P energy: -63.409
bonds (distance) P-C4' energy: -74.375
flat angles C4'-P-C4' energy: -83.701
flat angles P-C4'-P energy: -61.788
tors. eta vs tors. theta energy: -101.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1115.001219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.001219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.001219 (E_RNA)
where:
Base-Base interactions energy: -770.011
where: short stacking energy: -332.055
Base-Backbone interact. energy: 2.724
local terms energy: -347.714463
where:
bonds (distance) C4'-P energy: -59.051
bonds (distance) P-C4' energy: -74.745
flat angles C4'-P-C4' energy: -72.500
flat angles P-C4'-P energy: -43.914
tors. eta vs tors. theta energy: -97.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1100.111612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.111612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.111612 (E_RNA)
where:
Base-Base interactions energy: -739.914
where: short stacking energy: -312.141
Base-Backbone interact. energy: -0.515
local terms energy: -359.683203
where:
bonds (distance) C4'-P energy: -80.051
bonds (distance) P-C4' energy: -68.122
flat angles C4'-P-C4' energy: -72.376
flat angles P-C4'-P energy: -51.043
tors. eta vs tors. theta energy: -88.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -860.719824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.719824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.719824 (E_RNA)
where:
Base-Base interactions energy: -530.906
where: short stacking energy: -237.194
Base-Backbone interact. energy: -1.039
local terms energy: -328.774329
where:
bonds (distance) C4'-P energy: -64.687
bonds (distance) P-C4' energy: -74.000
flat angles C4'-P-C4' energy: -81.250
flat angles P-C4'-P energy: -42.891
tors. eta vs tors. theta energy: -65.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -572.155816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.155816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.155816 (E_RNA)
where:
Base-Base interactions energy: -326.916
where: short stacking energy: -147.773
Base-Backbone interact. energy: -2.583
local terms energy: -242.657106
where:
bonds (distance) C4'-P energy: -65.372
bonds (distance) P-C4' energy: -70.682
flat angles C4'-P-C4' energy: -54.539
flat angles P-C4'-P energy: -39.112
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -505.809945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.809945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.809945 (E_RNA)
where:
Base-Base interactions energy: -268.683
where: short stacking energy: -138.344
Base-Backbone interact. energy: -1.117
local terms energy: -236.009946
where:
bonds (distance) C4'-P energy: -50.394
bonds (distance) P-C4' energy: -69.124
flat angles C4'-P-C4' energy: -46.495
flat angles P-C4'-P energy: -50.091
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -308.824243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.824243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.824243 (E_RNA)
where:
Base-Base interactions energy: -106.331
where: short stacking energy: -90.109
Base-Backbone interact. energy: -0.709
local terms energy: -201.784430
where:
bonds (distance) C4'-P energy: -68.483
bonds (distance) P-C4' energy: -72.407
flat angles C4'-P-C4' energy: -49.466
flat angles P-C4'-P energy: -32.352
tors. eta vs tors. theta energy: 20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1392.246513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.246513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.246513 (E_RNA)
where:
Base-Base interactions energy: -957.917
where: short stacking energy: -395.307
Base-Backbone interact. energy: -1.668
local terms energy: -432.661350
where:
bonds (distance) C4'-P energy: -74.409
bonds (distance) P-C4' energy: -78.228
flat angles C4'-P-C4' energy: -89.409
flat angles P-C4'-P energy: -63.149
tors. eta vs tors. theta energy: -127.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1400.940096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.940096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.940096 (E_RNA)
where:
Base-Base interactions energy: -946.909
where: short stacking energy: -400.392
Base-Backbone interact. energy: -0.204
local terms energy: -453.826415
where:
bonds (distance) C4'-P energy: -85.138
bonds (distance) P-C4' energy: -78.129
flat angles C4'-P-C4' energy: -95.593
flat angles P-C4'-P energy: -66.861
tors. eta vs tors. theta energy: -128.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1335.014469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.014469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.014469 (E_RNA)
where:
Base-Base interactions energy: -919.563
where: short stacking energy: -370.531
Base-Backbone interact. energy: -6.476
local terms energy: -408.975760
where:
bonds (distance) C4'-P energy: -78.028
bonds (distance) P-C4' energy: -64.503
flat angles C4'-P-C4' energy: -87.414
flat angles P-C4'-P energy: -63.019
tors. eta vs tors. theta energy: -116.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1225.892273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.892273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.892273 (E_RNA)
where:
Base-Base interactions energy: -838.802
where: short stacking energy: -344.231
Base-Backbone interact. energy: -1.090
local terms energy: -385.999909
where:
bonds (distance) C4'-P energy: -62.079
bonds (distance) P-C4' energy: -79.305
flat angles C4'-P-C4' energy: -84.217
flat angles P-C4'-P energy: -50.566
tors. eta vs tors. theta energy: -109.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1151.043587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.043587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.043587 (E_RNA)
where:
Base-Base interactions energy: -801.214
where: short stacking energy: -324.718
Base-Backbone interact. energy: 1.041
local terms energy: -350.869969
where:
bonds (distance) C4'-P energy: -70.675
bonds (distance) P-C4' energy: -68.283
flat angles C4'-P-C4' energy: -84.312
flat angles P-C4'-P energy: -38.808
tors. eta vs tors. theta energy: -88.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1083.353991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.353991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.353991 (E_RNA)
where:
Base-Base interactions energy: -745.176
where: short stacking energy: -304.888
Base-Backbone interact. energy: -0.167
local terms energy: -338.010809
where:
bonds (distance) C4'-P energy: -64.009
bonds (distance) P-C4' energy: -73.024
flat angles C4'-P-C4' energy: -78.436
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -82.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -795.800369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.800369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.800369 (E_RNA)
where:
Base-Base interactions energy: -493.044
where: short stacking energy: -226.868
Base-Backbone interact. energy: -2.259
local terms energy: -300.496858
where:
bonds (distance) C4'-P energy: -63.148
bonds (distance) P-C4' energy: -74.574
flat angles C4'-P-C4' energy: -61.164
flat angles P-C4'-P energy: -43.494
tors. eta vs tors. theta energy: -58.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -546.680712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.680712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.680712 (E_RNA)
where:
Base-Base interactions energy: -280.446
where: short stacking energy: -172.033
Base-Backbone interact. energy: -1.044
local terms energy: -265.190174
where:
bonds (distance) C4'-P energy: -64.303
bonds (distance) P-C4' energy: -81.202
flat angles C4'-P-C4' energy: -56.519
flat angles P-C4'-P energy: -43.866
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -530.958124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.958124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.958124 (E_RNA)
where:
Base-Base interactions energy: -298.602
where: short stacking energy: -164.498
Base-Backbone interact. energy: -0.843
local terms energy: -231.513312
where:
bonds (distance) C4'-P energy: -60.931
bonds (distance) P-C4' energy: -59.213
flat angles C4'-P-C4' energy: -66.292
flat angles P-C4'-P energy: -29.101
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -307.969970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.969970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.969970 (E_RNA)
where:
Base-Base interactions energy: -107.022
where: short stacking energy: -79.340
Base-Backbone interact. energy: -2.011
local terms energy: -198.936759
where:
bonds (distance) C4'-P energy: -63.474
bonds (distance) P-C4' energy: -66.658
flat angles C4'-P-C4' energy: -60.726
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: 15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1377.941072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.941072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.941072 (E_RNA)
where:
Base-Base interactions energy: -954.819
where: short stacking energy: -408.355
Base-Backbone interact. energy: 1.635
local terms energy: -424.756893
where:
bonds (distance) C4'-P energy: -73.471
bonds (distance) P-C4' energy: -83.332
flat angles C4'-P-C4' energy: -91.694
flat angles P-C4'-P energy: -53.595
tors. eta vs tors. theta energy: -122.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1350.249401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.249401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.249401 (E_RNA)
where:
Base-Base interactions energy: -921.590
where: short stacking energy: -369.004
Base-Backbone interact. energy: -2.639
local terms energy: -426.020419
where:
bonds (distance) C4'-P energy: -76.421
bonds (distance) P-C4' energy: -77.139
flat angles C4'-P-C4' energy: -92.549
flat angles P-C4'-P energy: -58.204
tors. eta vs tors. theta energy: -121.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1345.175125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.175125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.175125 (E_RNA)
where:
Base-Base interactions energy: -928.274
where: short stacking energy: -385.560
Base-Backbone interact. energy: 2.003
local terms energy: -418.903298
where:
bonds (distance) C4'-P energy: -67.685
bonds (distance) P-C4' energy: -87.490
flat angles C4'-P-C4' energy: -90.377
flat angles P-C4'-P energy: -59.702
tors. eta vs tors. theta energy: -113.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1233.962218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.962218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.962218 (E_RNA)
where:
Base-Base interactions energy: -844.015
where: short stacking energy: -366.649
Base-Backbone interact. energy: -0.160
local terms energy: -389.787378
where:
bonds (distance) C4'-P energy: -70.623
bonds (distance) P-C4' energy: -71.146
flat angles C4'-P-C4' energy: -85.043
flat angles P-C4'-P energy: -48.302
tors. eta vs tors. theta energy: -114.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1165.089896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.089896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.089896 (E_RNA)
where:
Base-Base interactions energy: -785.459
where: short stacking energy: -309.445
Base-Backbone interact. energy: 3.150
local terms energy: -382.780741
where:
bonds (distance) C4'-P energy: -67.979
bonds (distance) P-C4' energy: -77.958
flat angles C4'-P-C4' energy: -87.657
flat angles P-C4'-P energy: -55.667
tors. eta vs tors. theta energy: -93.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1084.336167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.336167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.336167 (E_RNA)
where:
Base-Base interactions energy: -722.378
where: short stacking energy: -308.276
Base-Backbone interact. energy: 0.624
local terms energy: -362.582217
where:
bonds (distance) C4'-P energy: -75.019
bonds (distance) P-C4' energy: -79.861
flat angles C4'-P-C4' energy: -65.728
flat angles P-C4'-P energy: -55.972
tors. eta vs tors. theta energy: -86.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -819.580948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.580948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.580948 (E_RNA)
where:
Base-Base interactions energy: -511.275
where: short stacking energy: -226.029
Base-Backbone interact. energy: -0.567
local terms energy: -307.739057
where:
bonds (distance) C4'-P energy: -69.688
bonds (distance) P-C4' energy: -73.863
flat angles C4'-P-C4' energy: -77.921
flat angles P-C4'-P energy: -34.515
tors. eta vs tors. theta energy: -51.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -534.140130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.140130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.140130 (E_RNA)
where:
Base-Base interactions energy: -272.338
where: short stacking energy: -154.798
Base-Backbone interact. energy: 1.674
local terms energy: -263.476406
where:
bonds (distance) C4'-P energy: -76.434
bonds (distance) P-C4' energy: -65.195
flat angles C4'-P-C4' energy: -66.914
flat angles P-C4'-P energy: -40.255
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -473.208018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.208018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.208018 (E_RNA)
where:
Base-Base interactions energy: -241.895
where: short stacking energy: -128.684
Base-Backbone interact. energy: 0.576
local terms energy: -231.888836
where:
bonds (distance) C4'-P energy: -58.115
bonds (distance) P-C4' energy: -65.620
flat angles C4'-P-C4' energy: -77.630
flat angles P-C4'-P energy: -28.511
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -326.061091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.061091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.061091 (E_RNA)
where:
Base-Base interactions energy: -115.022
where: short stacking energy: -100.685
Base-Backbone interact. energy: 4.091
local terms energy: -215.130125
where:
bonds (distance) C4'-P energy: -68.247
bonds (distance) P-C4' energy: -69.068
flat angles C4'-P-C4' energy: -59.073
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: 0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1377.009521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.009521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.009521 (E_RNA)
where:
Base-Base interactions energy: -954.404
where: short stacking energy: -375.507
Base-Backbone interact. energy: 0.081
local terms energy: -422.687007
where:
bonds (distance) C4'-P energy: -76.918
bonds (distance) P-C4' energy: -71.341
flat angles C4'-P-C4' energy: -90.596
flat angles P-C4'-P energy: -66.253
tors. eta vs tors. theta energy: -117.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1367.744222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.744222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.744222 (E_RNA)
where:
Base-Base interactions energy: -940.563
where: short stacking energy: -370.915
Base-Backbone interact. energy: -3.008
local terms energy: -424.173123
where:
bonds (distance) C4'-P energy: -81.774
bonds (distance) P-C4' energy: -76.467
flat angles C4'-P-C4' energy: -90.897
flat angles P-C4'-P energy: -53.974
tors. eta vs tors. theta energy: -121.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1345.552602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.552602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.552602 (E_RNA)
where:
Base-Base interactions energy: -934.250
where: short stacking energy: -397.749
Base-Backbone interact. energy: 0.626
local terms energy: -411.928518
where:
bonds (distance) C4'-P energy: -62.040
bonds (distance) P-C4' energy: -75.868
flat angles C4'-P-C4' energy: -93.237
flat angles P-C4'-P energy: -60.016
tors. eta vs tors. theta energy: -120.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1193.315803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.315803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.315803 (E_RNA)
where:
Base-Base interactions energy: -797.516
where: short stacking energy: -337.383
Base-Backbone interact. energy: -1.125
local terms energy: -394.674391
where:
bonds (distance) C4'-P energy: -80.714
bonds (distance) P-C4' energy: -78.695
flat angles C4'-P-C4' energy: -88.274
flat angles P-C4'-P energy: -51.292
tors. eta vs tors. theta energy: -95.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1154.801091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.801091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.801091 (E_RNA)
where:
Base-Base interactions energy: -783.106
where: short stacking energy: -316.879
Base-Backbone interact. energy: -2.119
local terms energy: -369.576309
where:
bonds (distance) C4'-P energy: -62.801
bonds (distance) P-C4' energy: -73.480
flat angles C4'-P-C4' energy: -78.420
flat angles P-C4'-P energy: -58.407
tors. eta vs tors. theta energy: -96.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1114.651805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.651805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.651805 (E_RNA)
where:
Base-Base interactions energy: -770.079
where: short stacking energy: -313.589
Base-Backbone interact. energy: -1.656
local terms energy: -342.916899
where:
bonds (distance) C4'-P energy: -77.967
bonds (distance) P-C4' energy: -58.597
flat angles C4'-P-C4' energy: -75.460
flat angles P-C4'-P energy: -49.975
tors. eta vs tors. theta energy: -80.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -798.667847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.667847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.667847 (E_RNA)
where:
Base-Base interactions energy: -510.807
where: short stacking energy: -218.202
Base-Backbone interact. energy: 1.029
local terms energy: -288.889718
where:
bonds (distance) C4'-P energy: -70.193
bonds (distance) P-C4' energy: -70.100
flat angles C4'-P-C4' energy: -63.292
flat angles P-C4'-P energy: -45.562
tors. eta vs tors. theta energy: -39.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -584.984640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.984640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.984640 (E_RNA)
where:
Base-Base interactions energy: -308.927
where: short stacking energy: -160.024
Base-Backbone interact. energy: -1.220
local terms energy: -274.836955
where:
bonds (distance) C4'-P energy: -59.694
bonds (distance) P-C4' energy: -81.676
flat angles C4'-P-C4' energy: -64.783
flat angles P-C4'-P energy: -47.004
tors. eta vs tors. theta energy: -21.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -477.911067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.911067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.911067 (E_RNA)
where:
Base-Base interactions energy: -242.207
where: short stacking energy: -165.803
Base-Backbone interact. energy: -1.076
local terms energy: -234.628071
where:
bonds (distance) C4'-P energy: -51.124
bonds (distance) P-C4' energy: -70.181
flat angles C4'-P-C4' energy: -51.031
flat angles P-C4'-P energy: -29.351
tors. eta vs tors. theta energy: -32.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -332.191653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.191653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.191653 (E_RNA)
where:
Base-Base interactions energy: -121.482
where: short stacking energy: -99.215
Base-Backbone interact. energy: 1.782
local terms energy: -212.491531
where:
bonds (distance) C4'-P energy: -56.130
bonds (distance) P-C4' energy: -84.120
flat angles C4'-P-C4' energy: -52.669
flat angles P-C4'-P energy: -24.893
tors. eta vs tors. theta energy: 5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1394.577638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.577638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.577638 (E_RNA)
where:
Base-Base interactions energy: -965.807
where: short stacking energy: -408.222
Base-Backbone interact. energy: 0.368
local terms energy: -429.138606
where:
bonds (distance) C4'-P energy: -73.326
bonds (distance) P-C4' energy: -83.977
flat angles C4'-P-C4' energy: -100.289
flat angles P-C4'-P energy: -47.216
tors. eta vs tors. theta energy: -124.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1389.260857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.260857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.260857 (E_RNA)
where:
Base-Base interactions energy: -972.417
where: short stacking energy: -395.366
Base-Backbone interact. energy: -3.466
local terms energy: -413.377604
where:
bonds (distance) C4'-P energy: -76.149
bonds (distance) P-C4' energy: -75.752
flat angles C4'-P-C4' energy: -83.494
flat angles P-C4'-P energy: -58.382
tors. eta vs tors. theta energy: -119.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1331.013598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.013598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.013598 (E_RNA)
where:
Base-Base interactions energy: -910.723
where: short stacking energy: -380.796
Base-Backbone interact. energy: -1.345
local terms energy: -418.946274
where:
bonds (distance) C4'-P energy: -82.231
bonds (distance) P-C4' energy: -77.720
flat angles C4'-P-C4' energy: -86.654
flat angles P-C4'-P energy: -56.744
tors. eta vs tors. theta energy: -115.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1202.909869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.909869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.909869 (E_RNA)
where:
Base-Base interactions energy: -820.878
where: short stacking energy: -342.427
Base-Backbone interact. energy: -1.108
local terms energy: -380.923820
where:
bonds (distance) C4'-P energy: -64.164
bonds (distance) P-C4' energy: -69.037
flat angles C4'-P-C4' energy: -83.234
flat angles P-C4'-P energy: -63.217
tors. eta vs tors. theta energy: -101.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1145.681129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.681129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.681129 (E_RNA)
where:
Base-Base interactions energy: -780.654
where: short stacking energy: -338.147
Base-Backbone interact. energy: 1.893
local terms energy: -366.920494
where:
bonds (distance) C4'-P energy: -70.540
bonds (distance) P-C4' energy: -60.114
flat angles C4'-P-C4' energy: -84.878
flat angles P-C4'-P energy: -52.900
tors. eta vs tors. theta energy: -98.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1109.086221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.086221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.086221 (E_RNA)
where:
Base-Base interactions energy: -772.156
where: short stacking energy: -289.274
Base-Backbone interact. energy: -2.963
local terms energy: -333.967216
where:
bonds (distance) C4'-P energy: -50.276
bonds (distance) P-C4' energy: -69.146
flat angles C4'-P-C4' energy: -81.809
flat angles P-C4'-P energy: -58.060
tors. eta vs tors. theta energy: -74.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -810.482285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.482285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.482285 (E_RNA)
where:
Base-Base interactions energy: -499.908
where: short stacking energy: -219.876
Base-Backbone interact. energy: -1.374
local terms energy: -309.199742
where:
bonds (distance) C4'-P energy: -84.695
bonds (distance) P-C4' energy: -66.828
flat angles C4'-P-C4' energy: -74.164
flat angles P-C4'-P energy: -39.044
tors. eta vs tors. theta energy: -44.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -556.851018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.851018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.851018 (E_RNA)
where:
Base-Base interactions energy: -292.492
where: short stacking energy: -162.228
Base-Backbone interact. energy: -0.010
local terms energy: -264.348999
where:
bonds (distance) C4'-P energy: -73.332
bonds (distance) P-C4' energy: -73.321
flat angles C4'-P-C4' energy: -50.684
flat angles P-C4'-P energy: -39.243
tors. eta vs tors. theta energy: -27.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -464.721698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.721698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.721698 (E_RNA)
where:
Base-Base interactions energy: -204.514
where: short stacking energy: -129.078
Base-Backbone interact. energy: -1.358
local terms energy: -258.849474
where:
bonds (distance) C4'-P energy: -70.299
bonds (distance) P-C4' energy: -75.686
flat angles C4'-P-C4' energy: -69.534
flat angles P-C4'-P energy: -34.183
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -325.084105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.084105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.084105 (E_RNA)
where:
Base-Base interactions energy: -105.623
where: short stacking energy: -93.406
Base-Backbone interact. energy: -1.782
local terms energy: -217.678947
where:
bonds (distance) C4'-P energy: -50.191
bonds (distance) P-C4' energy: -73.452
flat angles C4'-P-C4' energy: -67.728
flat angles P-C4'-P energy: -29.005
tors. eta vs tors. theta energy: 2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1396.617420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.617420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.617420 (E_RNA)
where:
Base-Base interactions energy: -969.509
where: short stacking energy: -392.020
Base-Backbone interact. energy: 0.194
local terms energy: -427.302547
where:
bonds (distance) C4'-P energy: -78.666
bonds (distance) P-C4' energy: -85.775
flat angles C4'-P-C4' energy: -89.521
flat angles P-C4'-P energy: -51.348
tors. eta vs tors. theta energy: -121.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1357.395384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.395384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.395384 (E_RNA)
where:
Base-Base interactions energy: -946.013
where: short stacking energy: -390.923
Base-Backbone interact. energy: -2.085
local terms energy: -409.296694
where:
bonds (distance) C4'-P energy: -67.926
bonds (distance) P-C4' energy: -75.016
flat angles C4'-P-C4' energy: -87.107
flat angles P-C4'-P energy: -59.324
tors. eta vs tors. theta energy: -119.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1355.691683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.691683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.691683 (E_RNA)
where:
Base-Base interactions energy: -943.613
where: short stacking energy: -402.920
Base-Backbone interact. energy: -0.737
local terms energy: -411.341822
where:
bonds (distance) C4'-P energy: -68.944
bonds (distance) P-C4' energy: -73.929
flat angles C4'-P-C4' energy: -87.064
flat angles P-C4'-P energy: -55.374
tors. eta vs tors. theta energy: -126.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1206.207223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.207223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.207223 (E_RNA)
where:
Base-Base interactions energy: -855.872
where: short stacking energy: -364.775
Base-Backbone interact. energy: -1.340
local terms energy: -348.995167
where:
bonds (distance) C4'-P energy: -61.673
bonds (distance) P-C4' energy: -70.271
flat angles C4'-P-C4' energy: -74.957
flat angles P-C4'-P energy: -42.909
tors. eta vs tors. theta energy: -99.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1136.535659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.535659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.535659 (E_RNA)
where:
Base-Base interactions energy: -761.301
where: short stacking energy: -327.892
Base-Backbone interact. energy: 0.257
local terms energy: -375.492171
where:
bonds (distance) C4'-P energy: -77.197
bonds (distance) P-C4' energy: -76.098
flat angles C4'-P-C4' energy: -75.510
flat angles P-C4'-P energy: -53.616
tors. eta vs tors. theta energy: -93.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1129.028798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.028798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.028798 (E_RNA)
where:
Base-Base interactions energy: -762.295
where: short stacking energy: -296.631
Base-Backbone interact. energy: -1.117
local terms energy: -365.616495
where:
bonds (distance) C4'-P energy: -80.578
bonds (distance) P-C4' energy: -77.213
flat angles C4'-P-C4' energy: -70.178
flat angles P-C4'-P energy: -53.236
tors. eta vs tors. theta energy: -84.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -784.638053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.638053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.638053 (E_RNA)
where:
Base-Base interactions energy: -509.586
where: short stacking energy: -210.047
Base-Backbone interact. energy: -1.127
local terms energy: -273.924768
where:
bonds (distance) C4'-P energy: -63.505
bonds (distance) P-C4' energy: -71.329
flat angles C4'-P-C4' energy: -57.060
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -49.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -591.762086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.762086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.762086 (E_RNA)
where:
Base-Base interactions energy: -328.650
where: short stacking energy: -163.009
Base-Backbone interact. energy: -0.263
local terms energy: -262.849591
where:
bonds (distance) C4'-P energy: -68.503
bonds (distance) P-C4' energy: -72.340
flat angles C4'-P-C4' energy: -55.038
flat angles P-C4'-P energy: -39.053
tors. eta vs tors. theta energy: -27.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -441.426698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.426698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.426698 (E_RNA)
where:
Base-Base interactions energy: -216.347
where: short stacking energy: -135.613
Base-Backbone interact. energy: 4.395
local terms energy: -229.474019
where:
bonds (distance) C4'-P energy: -65.184
bonds (distance) P-C4' energy: -61.199
flat angles C4'-P-C4' energy: -61.537
flat angles P-C4'-P energy: -34.108
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -306.598499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.598499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.598499 (E_RNA)
where:
Base-Base interactions energy: -96.192
where: short stacking energy: -81.086
Base-Backbone interact. energy: -0.658
local terms energy: -209.748218
where:
bonds (distance) C4'-P energy: -58.007
bonds (distance) P-C4' energy: -58.519
flat angles C4'-P-C4' energy: -54.293
flat angles P-C4'-P energy: -40.245
tors. eta vs tors. theta energy: 1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1376.789667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.789667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.789667 (E_RNA)
where:
Base-Base interactions energy: -957.625
where: short stacking energy: -392.199
Base-Backbone interact. energy: -1.724
local terms energy: -417.440378
where:
bonds (distance) C4'-P energy: -74.793
bonds (distance) P-C4' energy: -71.572
flat angles C4'-P-C4' energy: -92.117
flat angles P-C4'-P energy: -56.390
tors. eta vs tors. theta energy: -122.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1391.679228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.679228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.679228 (E_RNA)
where:
Base-Base interactions energy: -969.266
where: short stacking energy: -398.607
Base-Backbone interact. energy: -1.990
local terms energy: -420.423367
where:
bonds (distance) C4'-P energy: -72.058
bonds (distance) P-C4' energy: -77.710
flat angles C4'-P-C4' energy: -91.961
flat angles P-C4'-P energy: -49.604
tors. eta vs tors. theta energy: -129.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1360.631512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.631512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.631512 (E_RNA)
where:
Base-Base interactions energy: -933.685
where: short stacking energy: -399.267
Base-Backbone interact. energy: -1.417
local terms energy: -425.530227
where:
bonds (distance) C4'-P energy: -73.294
bonds (distance) P-C4' energy: -84.841
flat angles C4'-P-C4' energy: -87.202
flat angles P-C4'-P energy: -60.652
tors. eta vs tors. theta energy: -119.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1227.920610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.920610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.920610 (E_RNA)
where:
Base-Base interactions energy: -846.964
where: short stacking energy: -356.066
Base-Backbone interact. energy: 0.098
local terms energy: -381.053717
where:
bonds (distance) C4'-P energy: -72.493
bonds (distance) P-C4' energy: -73.019
flat angles C4'-P-C4' energy: -77.869
flat angles P-C4'-P energy: -52.966
tors. eta vs tors. theta energy: -104.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1140.191474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.191474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.191474 (E_RNA)
where:
Base-Base interactions energy: -776.241
where: short stacking energy: -329.635
Base-Backbone interact. energy: -2.842
local terms energy: -361.108631
where:
bonds (distance) C4'-P energy: -75.871
bonds (distance) P-C4' energy: -59.834
flat angles C4'-P-C4' energy: -79.460
flat angles P-C4'-P energy: -49.870
tors. eta vs tors. theta energy: -96.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1100.462500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.462500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.462500 (E_RNA)
where:
Base-Base interactions energy: -763.159
where: short stacking energy: -292.758
Base-Backbone interact. energy: -1.055
local terms energy: -336.248941
where:
bonds (distance) C4'-P energy: -55.758
bonds (distance) P-C4' energy: -75.676
flat angles C4'-P-C4' energy: -69.171
flat angles P-C4'-P energy: -47.729
tors. eta vs tors. theta energy: -87.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -785.793643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.793643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.793643 (E_RNA)
where:
Base-Base interactions energy: -494.925
where: short stacking energy: -207.603
Base-Backbone interact. energy: -0.455
local terms energy: -290.413833
where:
bonds (distance) C4'-P energy: -70.907
bonds (distance) P-C4' energy: -60.785
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -35.685
tors. eta vs tors. theta energy: -54.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -586.421135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.421135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.421135 (E_RNA)
where:
Base-Base interactions energy: -316.244
where: short stacking energy: -175.217
Base-Backbone interact. energy: -1.111
local terms energy: -269.066610
where:
bonds (distance) C4'-P energy: -56.844
bonds (distance) P-C4' energy: -75.658
flat angles C4'-P-C4' energy: -65.309
flat angles P-C4'-P energy: -40.632
tors. eta vs tors. theta energy: -30.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -441.142815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.142815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.142815 (E_RNA)
where:
Base-Base interactions energy: -197.146
where: short stacking energy: -112.676
Base-Backbone interact. energy: -1.704
local terms energy: -242.292198
where:
bonds (distance) C4'-P energy: -65.100
bonds (distance) P-C4' energy: -72.242
flat angles C4'-P-C4' energy: -60.100
flat angles P-C4'-P energy: -35.417
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -322.803995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.803995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.803995 (E_RNA)
where:
Base-Base interactions energy: -125.031
where: short stacking energy: -97.064
Base-Backbone interact. energy: 0.290
local terms energy: -198.062915
where:
bonds (distance) C4'-P energy: -61.766
bonds (distance) P-C4' energy: -63.917
flat angles C4'-P-C4' energy: -48.776
flat angles P-C4'-P energy: -27.242
tors. eta vs tors. theta energy: 3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1384.975167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.975167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.975167 (E_RNA)
where:
Base-Base interactions energy: -947.446
where: short stacking energy: -399.116
Base-Backbone interact. energy: -0.303
local terms energy: -437.225864
where:
bonds (distance) C4'-P energy: -77.304
bonds (distance) P-C4' energy: -80.118
flat angles C4'-P-C4' energy: -94.147
flat angles P-C4'-P energy: -60.962
tors. eta vs tors. theta energy: -124.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1376.492696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.492696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.492696 (E_RNA)
where:
Base-Base interactions energy: -940.099
where: short stacking energy: -388.402
Base-Backbone interact. energy: -1.302
local terms energy: -435.090944
where:
bonds (distance) C4'-P energy: -78.322
bonds (distance) P-C4' energy: -78.474
flat angles C4'-P-C4' energy: -84.454
flat angles P-C4'-P energy: -66.014
tors. eta vs tors. theta energy: -127.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1337.419687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.419687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.419687 (E_RNA)
where:
Base-Base interactions energy: -920.657
where: short stacking energy: -390.322
Base-Backbone interact. energy: 2.160
local terms energy: -418.922617
where:
bonds (distance) C4'-P energy: -75.030
bonds (distance) P-C4' energy: -73.439
flat angles C4'-P-C4' energy: -88.092
flat angles P-C4'-P energy: -56.892
tors. eta vs tors. theta energy: -125.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1215.446371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.446371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.446371 (E_RNA)
where:
Base-Base interactions energy: -841.757
where: short stacking energy: -367.983
Base-Backbone interact. energy: 1.194
local terms energy: -374.883019
where:
bonds (distance) C4'-P energy: -63.058
bonds (distance) P-C4' energy: -68.560
flat angles C4'-P-C4' energy: -85.906
flat angles P-C4'-P energy: -54.725
tors. eta vs tors. theta energy: -102.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1195.665086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.665086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.665086 (E_RNA)
where:
Base-Base interactions energy: -826.722
where: short stacking energy: -325.404
Base-Backbone interact. energy: -1.524
local terms energy: -367.419855
where:
bonds (distance) C4'-P energy: -67.463
bonds (distance) P-C4' energy: -75.159
flat angles C4'-P-C4' energy: -83.110
flat angles P-C4'-P energy: -47.430
tors. eta vs tors. theta energy: -94.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1105.982603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.982603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.982603 (E_RNA)
where:
Base-Base interactions energy: -757.862
where: short stacking energy: -326.494
Base-Backbone interact. energy: 0.358
local terms energy: -348.478591
where:
bonds (distance) C4'-P energy: -74.761
bonds (distance) P-C4' energy: -58.933
flat angles C4'-P-C4' energy: -73.204
flat angles P-C4'-P energy: -49.829
tors. eta vs tors. theta energy: -91.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -768.250502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.250502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.250502 (E_RNA)
where:
Base-Base interactions energy: -462.669
where: short stacking energy: -208.334
Base-Backbone interact. energy: 1.930
local terms energy: -307.511792
where:
bonds (distance) C4'-P energy: -80.651
bonds (distance) P-C4' energy: -62.029
flat angles C4'-P-C4' energy: -64.545
flat angles P-C4'-P energy: -49.987
tors. eta vs tors. theta energy: -50.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -580.831538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.831538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.831538 (E_RNA)
where:
Base-Base interactions energy: -319.314
where: short stacking energy: -156.454
Base-Backbone interact. energy: 0.135
local terms energy: -261.653029
where:
bonds (distance) C4'-P energy: -62.245
bonds (distance) P-C4' energy: -50.121
flat angles C4'-P-C4' energy: -66.021
flat angles P-C4'-P energy: -49.664
tors. eta vs tors. theta energy: -33.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -427.248533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.248533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.248533 (E_RNA)
where:
Base-Base interactions energy: -197.335
where: short stacking energy: -132.899
Base-Backbone interact. energy: -0.477
local terms energy: -229.436221
where:
bonds (distance) C4'-P energy: -59.541
bonds (distance) P-C4' energy: -66.646
flat angles C4'-P-C4' energy: -52.560
flat angles P-C4'-P energy: -31.541
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -297.630967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.630967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.630967 (E_RNA)
where:
Base-Base interactions energy: -91.942
where: short stacking energy: -68.955
Base-Backbone interact. energy: 1.266
local terms energy: -206.955629
where:
bonds (distance) C4'-P energy: -52.970
bonds (distance) P-C4' energy: -68.136
flat angles C4'-P-C4' energy: -66.702
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: 7.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1404.239487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.239487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.239487 (E_RNA)
where:
Base-Base interactions energy: -970.094
where: short stacking energy: -391.343
Base-Backbone interact. energy: -1.312
local terms energy: -432.833476
where:
bonds (distance) C4'-P energy: -78.074
bonds (distance) P-C4' energy: -87.345
flat angles C4'-P-C4' energy: -93.178
flat angles P-C4'-P energy: -54.914
tors. eta vs tors. theta energy: -119.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1359.624582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.624582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.624582 (E_RNA)
where:
Base-Base interactions energy: -912.660
where: short stacking energy: -370.457
Base-Backbone interact. energy: -2.554
local terms energy: -444.410603
where:
bonds (distance) C4'-P energy: -86.381
bonds (distance) P-C4' energy: -80.081
flat angles C4'-P-C4' energy: -94.744
flat angles P-C4'-P energy: -65.554
tors. eta vs tors. theta energy: -117.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1334.393497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.393497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.393497 (E_RNA)
where:
Base-Base interactions energy: -915.417
where: short stacking energy: -397.474
Base-Backbone interact. energy: -1.393
local terms energy: -417.583309
where:
bonds (distance) C4'-P energy: -67.260
bonds (distance) P-C4' energy: -77.880
flat angles C4'-P-C4' energy: -86.634
flat angles P-C4'-P energy: -65.236
tors. eta vs tors. theta energy: -120.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1237.289943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.289943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.289943 (E_RNA)
where:
Base-Base interactions energy: -850.595
where: short stacking energy: -349.749
Base-Backbone interact. energy: 0.843
local terms energy: -387.537244
where:
bonds (distance) C4'-P energy: -72.987
bonds (distance) P-C4' energy: -72.929
flat angles C4'-P-C4' energy: -84.886
flat angles P-C4'-P energy: -54.709
tors. eta vs tors. theta energy: -102.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1188.462025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.462025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.462025 (E_RNA)
where:
Base-Base interactions energy: -817.912
where: short stacking energy: -337.210
Base-Backbone interact. energy: 0.453
local terms energy: -371.002853
where:
bonds (distance) C4'-P energy: -60.514
bonds (distance) P-C4' energy: -70.662
flat angles C4'-P-C4' energy: -77.314
flat angles P-C4'-P energy: -56.013
tors. eta vs tors. theta energy: -106.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1140.247525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.247525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.247525 (E_RNA)
where:
Base-Base interactions energy: -760.849
where: short stacking energy: -314.242
Base-Backbone interact. energy: 0.379
local terms energy: -379.778343
where:
bonds (distance) C4'-P energy: -70.444
bonds (distance) P-C4' energy: -78.406
flat angles C4'-P-C4' energy: -79.941
flat angles P-C4'-P energy: -47.325
tors. eta vs tors. theta energy: -103.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -759.777346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.777346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.777346 (E_RNA)
where:
Base-Base interactions energy: -450.606
where: short stacking energy: -197.694
Base-Backbone interact. energy: 0.298
local terms energy: -309.469091
where:
bonds (distance) C4'-P energy: -72.660
bonds (distance) P-C4' energy: -71.827
flat angles C4'-P-C4' energy: -84.914
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: -51.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -599.422842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.422842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.422842 (E_RNA)
where:
Base-Base interactions energy: -316.552
where: short stacking energy: -168.139
Base-Backbone interact. energy: -1.777
local terms energy: -281.093925
where:
bonds (distance) C4'-P energy: -73.546
bonds (distance) P-C4' energy: -71.900
flat angles C4'-P-C4' energy: -69.482
flat angles P-C4'-P energy: -49.665
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -432.653703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.653703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.653703 (E_RNA)
where:
Base-Base interactions energy: -208.832
where: short stacking energy: -119.491
Base-Backbone interact. energy: -1.427
local terms energy: -222.394812
where:
bonds (distance) C4'-P energy: -52.232
bonds (distance) P-C4' energy: -76.797
flat angles C4'-P-C4' energy: -56.032
flat angles P-C4'-P energy: -33.796
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -371.095697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.095697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.095697 (E_RNA)
where:
Base-Base interactions energy: -170.191
where: short stacking energy: -90.900
Base-Backbone interact. energy: 0.217
local terms energy: -201.121662
where:
bonds (distance) C4'-P energy: -47.822
bonds (distance) P-C4' energy: -59.664
flat angles C4'-P-C4' energy: -52.342
flat angles P-C4'-P energy: -37.937
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1394.567877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.567877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.567877 (E_RNA)
where:
Base-Base interactions energy: -969.178
where: short stacking energy: -401.739
Base-Backbone interact. energy: -4.567
local terms energy: -420.823343
where:
bonds (distance) C4'-P energy: -71.777
bonds (distance) P-C4' energy: -75.931
flat angles C4'-P-C4' energy: -83.114
flat angles P-C4'-P energy: -61.080
tors. eta vs tors. theta energy: -128.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1385.060633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.060633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.060633 (E_RNA)
where:
Base-Base interactions energy: -967.501
where: short stacking energy: -397.732
Base-Backbone interact. energy: 1.332
local terms energy: -418.892048
where:
bonds (distance) C4'-P energy: -70.582
bonds (distance) P-C4' energy: -83.882
flat angles C4'-P-C4' energy: -87.706
flat angles P-C4'-P energy: -52.901
tors. eta vs tors. theta energy: -123.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1358.902902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.902902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.902902 (E_RNA)
where:
Base-Base interactions energy: -909.544
where: short stacking energy: -401.252
Base-Backbone interact. energy: -1.080
local terms energy: -448.278756
where:
bonds (distance) C4'-P energy: -77.869
bonds (distance) P-C4' energy: -86.597
flat angles C4'-P-C4' energy: -91.629
flat angles P-C4'-P energy: -61.152
tors. eta vs tors. theta energy: -131.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1257.333601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.333601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.333601 (E_RNA)
where:
Base-Base interactions energy: -854.245
where: short stacking energy: -341.323
Base-Backbone interact. energy: 3.777
local terms energy: -406.865202
where:
bonds (distance) C4'-P energy: -68.046
bonds (distance) P-C4' energy: -85.303
flat angles C4'-P-C4' energy: -91.760
flat angles P-C4'-P energy: -60.081
tors. eta vs tors. theta energy: -101.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1154.410296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.410296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.410296 (E_RNA)
where:
Base-Base interactions energy: -784.478
where: short stacking energy: -325.014
Base-Backbone interact. energy: -1.533
local terms energy: -368.398625
where:
bonds (distance) C4'-P energy: -66.385
bonds (distance) P-C4' energy: -74.868
flat angles C4'-P-C4' energy: -77.525
flat angles P-C4'-P energy: -50.641
tors. eta vs tors. theta energy: -98.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1127.586913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.586913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.586913 (E_RNA)
where:
Base-Base interactions energy: -776.892
where: short stacking energy: -332.850
Base-Backbone interact. energy: -0.427
local terms energy: -350.267951
where:
bonds (distance) C4'-P energy: -59.115
bonds (distance) P-C4' energy: -62.606
flat angles C4'-P-C4' energy: -77.565
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -98.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -784.225536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.225536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.225536 (E_RNA)
where:
Base-Base interactions energy: -485.894
where: short stacking energy: -227.331
Base-Backbone interact. energy: -1.618
local terms energy: -296.713119
where:
bonds (distance) C4'-P energy: -70.290
bonds (distance) P-C4' energy: -62.382
flat angles C4'-P-C4' energy: -72.645
flat angles P-C4'-P energy: -47.928
tors. eta vs tors. theta energy: -43.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -581.859981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.859981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.859981 (E_RNA)
where:
Base-Base interactions energy: -334.438
where: short stacking energy: -158.959
Base-Backbone interact. energy: -1.761
local terms energy: -245.660983
where:
bonds (distance) C4'-P energy: -59.211
bonds (distance) P-C4' energy: -69.108
flat angles C4'-P-C4' energy: -59.148
flat angles P-C4'-P energy: -43.624
tors. eta vs tors. theta energy: -14.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -370.103925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.103925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.103925 (E_RNA)
where:
Base-Base interactions energy: -146.214
where: short stacking energy: -88.705
Base-Backbone interact. energy: -0.059
local terms energy: -223.830849
where:
bonds (distance) C4'-P energy: -69.179
bonds (distance) P-C4' energy: -83.076
flat angles C4'-P-C4' energy: -41.291
flat angles P-C4'-P energy: -43.151
tors. eta vs tors. theta energy: 12.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -407.754711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.754711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.754711 (E_RNA)
where:
Base-Base interactions energy: -175.986
where: short stacking energy: -93.809
Base-Backbone interact. energy: -2.047
local terms energy: -229.721389
where:
bonds (distance) C4'-P energy: -75.975
bonds (distance) P-C4' energy: -66.877
flat angles C4'-P-C4' energy: -52.699
flat angles P-C4'-P energy: -40.921
tors. eta vs tors. theta energy: 6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1398.987689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.987689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.987689 (E_RNA)
where:
Base-Base interactions energy: -972.897
where: short stacking energy: -391.314
Base-Backbone interact. energy: -1.483
local terms energy: -424.608127
where:
bonds (distance) C4'-P energy: -74.230
bonds (distance) P-C4' energy: -76.981
flat angles C4'-P-C4' energy: -92.966
flat angles P-C4'-P energy: -57.931
tors. eta vs tors. theta energy: -122.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1370.487903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.487903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.487903 (E_RNA)
where:
Base-Base interactions energy: -935.528
where: short stacking energy: -398.222
Base-Backbone interact. energy: -0.940
local terms energy: -434.020100
where:
bonds (distance) C4'-P energy: -80.631
bonds (distance) P-C4' energy: -71.537
flat angles C4'-P-C4' energy: -92.015
flat angles P-C4'-P energy: -63.608
tors. eta vs tors. theta energy: -126.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1344.340728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.340728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.340728 (E_RNA)
where:
Base-Base interactions energy: -922.011
where: short stacking energy: -390.285
Base-Backbone interact. energy: -1.457
local terms energy: -420.872541
where:
bonds (distance) C4'-P energy: -77.966
bonds (distance) P-C4' energy: -78.123
flat angles C4'-P-C4' energy: -87.507
flat angles P-C4'-P energy: -53.807
tors. eta vs tors. theta energy: -123.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1186.929070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.929070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.929070 (E_RNA)
where:
Base-Base interactions energy: -821.601
where: short stacking energy: -350.097
Base-Backbone interact. energy: -1.261
local terms energy: -364.067188
where:
bonds (distance) C4'-P energy: -54.758
bonds (distance) P-C4' energy: -70.240
flat angles C4'-P-C4' energy: -88.761
flat angles P-C4'-P energy: -55.093
tors. eta vs tors. theta energy: -95.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1191.116570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.116570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.116570 (E_RNA)
where:
Base-Base interactions energy: -834.369
where: short stacking energy: -330.423
Base-Backbone interact. energy: 0.954
local terms energy: -357.701467
where:
bonds (distance) C4'-P energy: -65.253
bonds (distance) P-C4' energy: -68.547
flat angles C4'-P-C4' energy: -73.460
flat angles P-C4'-P energy: -56.684
tors. eta vs tors. theta energy: -93.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1094.336280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.336280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.336280 (E_RNA)
where:
Base-Base interactions energy: -739.725
where: short stacking energy: -315.125
Base-Backbone interact. energy: -3.830
local terms energy: -350.781623
where:
bonds (distance) C4'-P energy: -56.352
bonds (distance) P-C4' energy: -63.201
flat angles C4'-P-C4' energy: -85.916
flat angles P-C4'-P energy: -58.610
tors. eta vs tors. theta energy: -86.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -801.144683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.144683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.144683 (E_RNA)
where:
Base-Base interactions energy: -508.473
where: short stacking energy: -217.958
Base-Backbone interact. energy: 4.833
local terms energy: -297.504884
where:
bonds (distance) C4'-P energy: -55.523
bonds (distance) P-C4' energy: -79.305
flat angles C4'-P-C4' energy: -79.624
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -45.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -542.372000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.372000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.372000 (E_RNA)
where:
Base-Base interactions energy: -293.142
where: short stacking energy: -153.432
Base-Backbone interact. energy: -1.723
local terms energy: -247.506543
where:
bonds (distance) C4'-P energy: -78.106
bonds (distance) P-C4' energy: -66.518
flat angles C4'-P-C4' energy: -51.852
flat angles P-C4'-P energy: -34.552
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -374.131614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.131614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.131614 (E_RNA)
where:
Base-Base interactions energy: -153.271
where: short stacking energy: -111.303
Base-Backbone interact. energy: -2.993
local terms energy: -217.866798
where:
bonds (distance) C4'-P energy: -72.534
bonds (distance) P-C4' energy: -69.419
flat angles C4'-P-C4' energy: -56.384
flat angles P-C4'-P energy: -35.234
tors. eta vs tors. theta energy: 15.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -406.612432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.612432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.612432 (E_RNA)
where:
Base-Base interactions energy: -178.737
where: short stacking energy: -106.626
Base-Backbone interact. energy: 2.279
local terms energy: -230.153636
where:
bonds (distance) C4'-P energy: -68.224
bonds (distance) P-C4' energy: -48.313
flat angles C4'-P-C4' energy: -71.614
flat angles P-C4'-P energy: -39.792
tors. eta vs tors. theta energy: -2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1397.935588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.935588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.935588 (E_RNA)
where:
Base-Base interactions energy: -956.616
where: short stacking energy: -392.253
Base-Backbone interact. energy: -2.251
local terms energy: -439.068426
where:
bonds (distance) C4'-P energy: -73.825
bonds (distance) P-C4' energy: -81.619
flat angles C4'-P-C4' energy: -96.970
flat angles P-C4'-P energy: -64.300
tors. eta vs tors. theta energy: -122.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1384.726714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.726714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.726714 (E_RNA)
where:
Base-Base interactions energy: -943.574
where: short stacking energy: -394.768
Base-Backbone interact. energy: -1.992
local terms energy: -439.160713
where:
bonds (distance) C4'-P energy: -84.875
bonds (distance) P-C4' energy: -68.757
flat angles C4'-P-C4' energy: -89.139
flat angles P-C4'-P energy: -74.119
tors. eta vs tors. theta energy: -122.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1338.560057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.560057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.560057 (E_RNA)
where:
Base-Base interactions energy: -913.958
where: short stacking energy: -374.628
Base-Backbone interact. energy: -1.740
local terms energy: -422.861532
where:
bonds (distance) C4'-P energy: -74.041
bonds (distance) P-C4' energy: -76.625
flat angles C4'-P-C4' energy: -95.482
flat angles P-C4'-P energy: -58.078
tors. eta vs tors. theta energy: -118.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1203.102064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.102064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.102064 (E_RNA)
where:
Base-Base interactions energy: -821.709
where: short stacking energy: -342.498
Base-Backbone interact. energy: -0.365
local terms energy: -381.027920
where:
bonds (distance) C4'-P energy: -63.456
bonds (distance) P-C4' energy: -66.889
flat angles C4'-P-C4' energy: -89.498
flat angles P-C4'-P energy: -60.440
tors. eta vs tors. theta energy: -100.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1187.672133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.672133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.672133 (E_RNA)
where:
Base-Base interactions energy: -834.505
where: short stacking energy: -342.867
Base-Backbone interact. energy: -3.876
local terms energy: -349.290273
where:
bonds (distance) C4'-P energy: -68.067
bonds (distance) P-C4' energy: -57.141
flat angles C4'-P-C4' energy: -77.140
flat angles P-C4'-P energy: -54.269
tors. eta vs tors. theta energy: -92.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1129.136943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.136943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.136943 (E_RNA)
where:
Base-Base interactions energy: -773.014
where: short stacking energy: -315.777
Base-Backbone interact. energy: -2.439
local terms energy: -353.683135
where:
bonds (distance) C4'-P energy: -67.759
bonds (distance) P-C4' energy: -69.762
flat angles C4'-P-C4' energy: -84.473
flat angles P-C4'-P energy: -43.240
tors. eta vs tors. theta energy: -88.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -769.772464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.772464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.772464 (E_RNA)
where:
Base-Base interactions energy: -468.040
where: short stacking energy: -240.131
Base-Backbone interact. energy: 0.571
local terms energy: -302.302999
where:
bonds (distance) C4'-P energy: -56.855
bonds (distance) P-C4' energy: -79.166
flat angles C4'-P-C4' energy: -74.372
flat angles P-C4'-P energy: -37.395
tors. eta vs tors. theta energy: -54.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -557.628014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.628014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.628014 (E_RNA)
where:
Base-Base interactions energy: -335.894
where: short stacking energy: -159.264
Base-Backbone interact. energy: -0.303
local terms energy: -221.431795
where:
bonds (distance) C4'-P energy: -54.987
bonds (distance) P-C4' energy: -60.939
flat angles C4'-P-C4' energy: -58.376
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -441.600007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.600007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.600007 (E_RNA)
where:
Base-Base interactions energy: -202.577
where: short stacking energy: -122.119
Base-Backbone interact. energy: -1.007
local terms energy: -238.016531
where:
bonds (distance) C4'-P energy: -63.483
bonds (distance) P-C4' energy: -76.510
flat angles C4'-P-C4' energy: -56.827
flat angles P-C4'-P energy: -33.938
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -378.381825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.381825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.381825 (E_RNA)
where:
Base-Base interactions energy: -167.711
where: short stacking energy: -111.975
Base-Backbone interact. energy: -0.394
local terms energy: -210.277518
where:
bonds (distance) C4'-P energy: -67.271
bonds (distance) P-C4' energy: -61.290
flat angles C4'-P-C4' energy: -55.739
flat angles P-C4'-P energy: -24.208
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1383.891122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.891122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.891122 (E_RNA)
where:
Base-Base interactions energy: -943.458
where: short stacking energy: -396.675
Base-Backbone interact. energy: -2.076
local terms energy: -438.357199
where:
bonds (distance) C4'-P energy: -88.450
bonds (distance) P-C4' energy: -78.071
flat angles C4'-P-C4' energy: -85.973
flat angles P-C4'-P energy: -59.303
tors. eta vs tors. theta energy: -126.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1373.666476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.666476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.666476 (E_RNA)
where:
Base-Base interactions energy: -936.260
where: short stacking energy: -391.528
Base-Backbone interact. energy: -1.226
local terms energy: -436.180519
where:
bonds (distance) C4'-P energy: -85.574
bonds (distance) P-C4' energy: -78.776
flat angles C4'-P-C4' energy: -81.501
flat angles P-C4'-P energy: -65.025
tors. eta vs tors. theta energy: -125.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1307.413023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.413023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.413023 (E_RNA)
where:
Base-Base interactions energy: -895.520
where: short stacking energy: -376.586
Base-Backbone interact. energy: -3.864
local terms energy: -408.028990
where:
bonds (distance) C4'-P energy: -69.156
bonds (distance) P-C4' energy: -76.660
flat angles C4'-P-C4' energy: -83.725
flat angles P-C4'-P energy: -58.880
tors. eta vs tors. theta energy: -119.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1187.502452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.502452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.502452 (E_RNA)
where:
Base-Base interactions energy: -807.326
where: short stacking energy: -333.142
Base-Backbone interact. energy: -1.334
local terms energy: -378.843023
where:
bonds (distance) C4'-P energy: -70.235
bonds (distance) P-C4' energy: -80.925
flat angles C4'-P-C4' energy: -78.972
flat angles P-C4'-P energy: -52.849
tors. eta vs tors. theta energy: -95.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1173.042193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.042193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.042193 (E_RNA)
where:
Base-Base interactions energy: -801.336
where: short stacking energy: -304.808
Base-Backbone interact. energy: -0.234
local terms energy: -371.472020
where:
bonds (distance) C4'-P energy: -63.322
bonds (distance) P-C4' energy: -85.147
flat angles C4'-P-C4' energy: -77.877
flat angles P-C4'-P energy: -54.188
tors. eta vs tors. theta energy: -90.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1096.581508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.581508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.581508 (E_RNA)
where:
Base-Base interactions energy: -743.355
where: short stacking energy: -312.638
Base-Backbone interact. energy: -1.225
local terms energy: -352.001951
where:
bonds (distance) C4'-P energy: -76.277
bonds (distance) P-C4' energy: -62.650
flat angles C4'-P-C4' energy: -80.229
flat angles P-C4'-P energy: -56.300
tors. eta vs tors. theta energy: -76.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -852.599168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.599168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.599168 (E_RNA)
where:
Base-Base interactions energy: -538.777
where: short stacking energy: -242.508
Base-Backbone interact. energy: 1.238
local terms energy: -315.059488
where:
bonds (distance) C4'-P energy: -68.601
bonds (distance) P-C4' energy: -65.897
flat angles C4'-P-C4' energy: -81.848
flat angles P-C4'-P energy: -41.671
tors. eta vs tors. theta energy: -57.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -571.409163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.409163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.409163 (E_RNA)
where:
Base-Base interactions energy: -294.144
where: short stacking energy: -157.236
Base-Backbone interact. energy: -0.641
local terms energy: -276.624085
where:
bonds (distance) C4'-P energy: -63.398
bonds (distance) P-C4' energy: -75.282
flat angles C4'-P-C4' energy: -67.674
flat angles P-C4'-P energy: -44.753
tors. eta vs tors. theta energy: -25.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -429.854838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.854838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.854838 (E_RNA)
where:
Base-Base interactions energy: -173.537
where: short stacking energy: -120.969
Base-Backbone interact. energy: 0.990
local terms energy: -257.307422
where:
bonds (distance) C4'-P energy: -72.045
bonds (distance) P-C4' energy: -63.398
flat angles C4'-P-C4' energy: -71.249
flat angles P-C4'-P energy: -46.125
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -384.954737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.954737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.954737 (E_RNA)
where:
Base-Base interactions energy: -173.132
where: short stacking energy: -96.169
Base-Backbone interact. energy: -2.496
local terms energy: -209.326996
where:
bonds (distance) C4'-P energy: -55.683
bonds (distance) P-C4' energy: -63.596
flat angles C4'-P-C4' energy: -53.359
flat angles P-C4'-P energy: -38.980
tors. eta vs tors. theta energy: 2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1406.107592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.107592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.107592 (E_RNA)
where:
Base-Base interactions energy: -962.576
where: short stacking energy: -405.974
Base-Backbone interact. energy: -0.208
local terms energy: -443.323895
where:
bonds (distance) C4'-P energy: -76.898
bonds (distance) P-C4' energy: -89.806
flat angles C4'-P-C4' energy: -90.904
flat angles P-C4'-P energy: -60.381
tors. eta vs tors. theta energy: -125.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1369.128558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.128558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.128558 (E_RNA)
where:
Base-Base interactions energy: -944.419
where: short stacking energy: -378.930
Base-Backbone interact. energy: -0.925
local terms energy: -423.784500
where:
bonds (distance) C4'-P energy: -70.573
bonds (distance) P-C4' energy: -79.689
flat angles C4'-P-C4' energy: -93.634
flat angles P-C4'-P energy: -51.049
tors. eta vs tors. theta energy: -128.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1317.666995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.666995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.666995 (E_RNA)
where:
Base-Base interactions energy: -914.467
where: short stacking energy: -379.362
Base-Backbone interact. energy: -3.382
local terms energy: -399.818114
where:
bonds (distance) C4'-P energy: -79.779
bonds (distance) P-C4' energy: -66.390
flat angles C4'-P-C4' energy: -80.188
flat angles P-C4'-P energy: -56.623
tors. eta vs tors. theta energy: -116.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1184.119033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.119033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.119033 (E_RNA)
where:
Base-Base interactions energy: -815.517
where: short stacking energy: -328.295
Base-Backbone interact. energy: -2.519
local terms energy: -366.083701
where:
bonds (distance) C4'-P energy: -78.137
bonds (distance) P-C4' energy: -73.302
flat angles C4'-P-C4' energy: -84.378
flat angles P-C4'-P energy: -40.242
tors. eta vs tors. theta energy: -90.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1202.633059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.633059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.633059 (E_RNA)
where:
Base-Base interactions energy: -843.476
where: short stacking energy: -338.303
Base-Backbone interact. energy: -0.358
local terms energy: -358.799828
where:
bonds (distance) C4'-P energy: -64.119
bonds (distance) P-C4' energy: -65.558
flat angles C4'-P-C4' energy: -81.865
flat angles P-C4'-P energy: -51.923
tors. eta vs tors. theta energy: -95.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1147.227980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.227980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.227980 (E_RNA)
where:
Base-Base interactions energy: -779.554
where: short stacking energy: -306.065
Base-Backbone interact. energy: -2.382
local terms energy: -365.291678
where:
bonds (distance) C4'-P energy: -67.081
bonds (distance) P-C4' energy: -80.082
flat angles C4'-P-C4' energy: -76.404
flat angles P-C4'-P energy: -53.032
tors. eta vs tors. theta energy: -88.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -845.998559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.998559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.998559 (E_RNA)
where:
Base-Base interactions energy: -526.367
where: short stacking energy: -239.926
Base-Backbone interact. energy: 1.076
local terms energy: -320.707921
where:
bonds (distance) C4'-P energy: -56.099
bonds (distance) P-C4' energy: -71.606
flat angles C4'-P-C4' energy: -89.311
flat angles P-C4'-P energy: -52.589
tors. eta vs tors. theta energy: -51.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -565.752828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.752828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.752828 (E_RNA)
where:
Base-Base interactions energy: -312.461
where: short stacking energy: -167.093
Base-Backbone interact. energy: 1.249
local terms energy: -254.540324
where:
bonds (distance) C4'-P energy: -61.712
bonds (distance) P-C4' energy: -68.244
flat angles C4'-P-C4' energy: -47.951
flat angles P-C4'-P energy: -46.767
tors. eta vs tors. theta energy: -29.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -430.927566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.927566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.927566 (E_RNA)
where:
Base-Base interactions energy: -211.136
where: short stacking energy: -118.299
Base-Backbone interact. energy: 1.414
local terms energy: -221.204839
where:
bonds (distance) C4'-P energy: -57.549
bonds (distance) P-C4' energy: -67.373
flat angles C4'-P-C4' energy: -59.304
flat angles P-C4'-P energy: -50.820
tors. eta vs tors. theta energy: 13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -422.021815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.021815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.021815 (E_RNA)
where:
Base-Base interactions energy: -175.457
where: short stacking energy: -114.659
Base-Backbone interact. energy: 1.774
local terms energy: -248.337918
where:
bonds (distance) C4'-P energy: -70.142
bonds (distance) P-C4' energy: -69.382
flat angles C4'-P-C4' energy: -64.067
flat angles P-C4'-P energy: -37.659
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1396.935614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.935614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.935614 (E_RNA)
where:
Base-Base interactions energy: -967.066
where: short stacking energy: -408.458
Base-Backbone interact. energy: -0.999
local terms energy: -428.870379
where:
bonds (distance) C4'-P energy: -78.741
bonds (distance) P-C4' energy: -77.311
flat angles C4'-P-C4' energy: -89.899
flat angles P-C4'-P energy: -58.791
tors. eta vs tors. theta energy: -124.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1347.401673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.401673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.401673 (E_RNA)
where:
Base-Base interactions energy: -926.603
where: short stacking energy: -381.589
Base-Backbone interact. energy: -1.971
local terms energy: -418.828101
where:
bonds (distance) C4'-P energy: -78.214
bonds (distance) P-C4' energy: -70.723
flat angles C4'-P-C4' energy: -94.648
flat angles P-C4'-P energy: -58.399
tors. eta vs tors. theta energy: -116.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1326.486439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.486439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.486439 (E_RNA)
where:
Base-Base interactions energy: -913.255
where: short stacking energy: -378.890
Base-Backbone interact. energy: -0.441
local terms energy: -412.790796
where:
bonds (distance) C4'-P energy: -69.098
bonds (distance) P-C4' energy: -86.832
flat angles C4'-P-C4' energy: -85.432
flat angles P-C4'-P energy: -57.847
tors. eta vs tors. theta energy: -113.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1218.101157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.101157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.101157 (E_RNA)
where:
Base-Base interactions energy: -834.970
where: short stacking energy: -340.890
Base-Backbone interact. energy: -3.495
local terms energy: -379.636114
where:
bonds (distance) C4'-P energy: -70.959
bonds (distance) P-C4' energy: -77.719
flat angles C4'-P-C4' energy: -87.323
flat angles P-C4'-P energy: -48.931
tors. eta vs tors. theta energy: -94.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1120.528679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.528679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.528679 (E_RNA)
where:
Base-Base interactions energy: -760.790
where: short stacking energy: -306.008
Base-Backbone interact. energy: 1.141
local terms energy: -360.879690
where:
bonds (distance) C4'-P energy: -75.503
bonds (distance) P-C4' energy: -67.863
flat angles C4'-P-C4' energy: -85.362
flat angles P-C4'-P energy: -42.762
tors. eta vs tors. theta energy: -89.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1063.594029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.594029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.594029 (E_RNA)
where:
Base-Base interactions energy: -737.088
where: short stacking energy: -297.762
Base-Backbone interact. energy: -0.076
local terms energy: -326.429878
where:
bonds (distance) C4'-P energy: -67.241
bonds (distance) P-C4' energy: -57.255
flat angles C4'-P-C4' energy: -69.864
flat angles P-C4'-P energy: -43.354
tors. eta vs tors. theta energy: -88.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -843.703928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.703928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.703928 (E_RNA)
where:
Base-Base interactions energy: -543.051
where: short stacking energy: -250.948
Base-Backbone interact. energy: -0.458
local terms energy: -300.194118
where:
bonds (distance) C4'-P energy: -61.775
bonds (distance) P-C4' energy: -50.700
flat angles C4'-P-C4' energy: -73.101
flat angles P-C4'-P energy: -49.411
tors. eta vs tors. theta energy: -65.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -482.492167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.492167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.492167 (E_RNA)
where:
Base-Base interactions energy: -239.978
where: short stacking energy: -124.347
Base-Backbone interact. energy: -0.764
local terms energy: -241.750509
where:
bonds (distance) C4'-P energy: -61.886
bonds (distance) P-C4' energy: -57.955
flat angles C4'-P-C4' energy: -57.856
flat angles P-C4'-P energy: -50.086
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -533.204729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.204729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.204729 (E_RNA)
where:
Base-Base interactions energy: -287.544
where: short stacking energy: -134.412
Base-Backbone interact. energy: -1.254
local terms energy: -244.406479
where:
bonds (distance) C4'-P energy: -74.268
bonds (distance) P-C4' energy: -66.104
flat angles C4'-P-C4' energy: -61.011
flat angles P-C4'-P energy: -28.560
tors. eta vs tors. theta energy: -14.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -394.234527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.234527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.234527 (E_RNA)
where:
Base-Base interactions energy: -174.997
where: short stacking energy: -114.995
Base-Backbone interact. energy: 1.698
local terms energy: -220.936156
where:
bonds (distance) C4'-P energy: -70.118
bonds (distance) P-C4' energy: -73.622
flat angles C4'-P-C4' energy: -59.899
flat angles P-C4'-P energy: -32.916
tors. eta vs tors. theta energy: 15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1412.464207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.464207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.464207 (E_RNA)
where:
Base-Base interactions energy: -969.245
where: short stacking energy: -409.991
Base-Backbone interact. energy: -1.090
local terms energy: -442.129858
where:
bonds (distance) C4'-P energy: -85.021
bonds (distance) P-C4' energy: -84.954
flat angles C4'-P-C4' energy: -95.297
flat angles P-C4'-P energy: -52.590
tors. eta vs tors. theta energy: -124.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1356.334316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.334316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.334316 (E_RNA)
where:
Base-Base interactions energy: -931.495
where: short stacking energy: -373.561
Base-Backbone interact. energy: -0.861
local terms energy: -423.979252
where:
bonds (distance) C4'-P energy: -72.237
bonds (distance) P-C4' energy: -81.971
flat angles C4'-P-C4' energy: -92.147
flat angles P-C4'-P energy: -59.853
tors. eta vs tors. theta energy: -117.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1344.423371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.423371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.423371 (E_RNA)
where:
Base-Base interactions energy: -932.594
where: short stacking energy: -374.815
Base-Backbone interact. energy: -2.517
local terms energy: -409.312373
where:
bonds (distance) C4'-P energy: -73.186
bonds (distance) P-C4' energy: -75.095
flat angles C4'-P-C4' energy: -86.200
flat angles P-C4'-P energy: -55.233
tors. eta vs tors. theta energy: -119.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1211.880147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.880147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.880147 (E_RNA)
where:
Base-Base interactions energy: -856.076
where: short stacking energy: -330.503
Base-Backbone interact. energy: -1.380
local terms energy: -354.424876
where:
bonds (distance) C4'-P energy: -68.530
bonds (distance) P-C4' energy: -71.987
flat angles C4'-P-C4' energy: -81.318
flat angles P-C4'-P energy: -48.309
tors. eta vs tors. theta energy: -84.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1129.474905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.474905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.474905 (E_RNA)
where:
Base-Base interactions energy: -758.909
where: short stacking energy: -313.308
Base-Backbone interact. energy: 0.530
local terms energy: -371.096664
where:
bonds (distance) C4'-P energy: -78.866
bonds (distance) P-C4' energy: -74.162
flat angles C4'-P-C4' energy: -71.859
flat angles P-C4'-P energy: -58.949
tors. eta vs tors. theta energy: -87.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1009.302496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.302496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.302496 (E_RNA)
where:
Base-Base interactions energy: -694.237
where: short stacking energy: -293.481
Base-Backbone interact. energy: -1.884
local terms energy: -313.181518
where:
bonds (distance) C4'-P energy: -58.867
bonds (distance) P-C4' energy: -73.108
flat angles C4'-P-C4' energy: -67.506
flat angles P-C4'-P energy: -41.145
tors. eta vs tors. theta energy: -72.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -883.857908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.857908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.857908 (E_RNA)
where:
Base-Base interactions energy: -564.622
where: short stacking energy: -240.996
Base-Backbone interact. energy: -0.726
local terms energy: -318.509434
where:
bonds (distance) C4'-P energy: -70.227
bonds (distance) P-C4' energy: -73.507
flat angles C4'-P-C4' energy: -63.196
flat angles P-C4'-P energy: -50.646
tors. eta vs tors. theta energy: -60.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -463.848002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.848002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.848002 (E_RNA)
where:
Base-Base interactions energy: -234.624
where: short stacking energy: -125.154
Base-Backbone interact. energy: -1.458
local terms energy: -227.765730
where:
bonds (distance) C4'-P energy: -73.472
bonds (distance) P-C4' energy: -75.281
flat angles C4'-P-C4' energy: -48.249
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -538.343891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.343891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.343891 (E_RNA)
where:
Base-Base interactions energy: -277.811
where: short stacking energy: -131.423
Base-Backbone interact. energy: -1.828
local terms energy: -258.704196
where:
bonds (distance) C4'-P energy: -63.744
bonds (distance) P-C4' energy: -74.089
flat angles C4'-P-C4' energy: -69.914
flat angles P-C4'-P energy: -42.360
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -351.004481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.004481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.004481 (E_RNA)
where:
Base-Base interactions energy: -138.930
where: short stacking energy: -98.034
Base-Backbone interact. energy: -1.737
local terms energy: -210.337338
where:
bonds (distance) C4'-P energy: -62.739
bonds (distance) P-C4' energy: -62.754
flat angles C4'-P-C4' energy: -51.138
flat angles P-C4'-P energy: -39.199
tors. eta vs tors. theta energy: 5.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1406.879635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.879635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.879635 (E_RNA)
where:
Base-Base interactions energy: -970.312
where: short stacking energy: -414.154
Base-Backbone interact. energy: -0.088
local terms energy: -436.480103
where:
bonds (distance) C4'-P energy: -75.960
bonds (distance) P-C4' energy: -77.733
flat angles C4'-P-C4' energy: -93.262
flat angles P-C4'-P energy: -57.446
tors. eta vs tors. theta energy: -132.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1337.503888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.503888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.503888 (E_RNA)
where:
Base-Base interactions energy: -923.589
where: short stacking energy: -378.323
Base-Backbone interact. energy: -3.100
local terms energy: -410.814598
where:
bonds (distance) C4'-P energy: -67.025
bonds (distance) P-C4' energy: -77.633
flat angles C4'-P-C4' energy: -91.969
flat angles P-C4'-P energy: -61.166
tors. eta vs tors. theta energy: -113.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1310.980916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.980916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.980916 (E_RNA)
where:
Base-Base interactions energy: -911.673
where: short stacking energy: -373.756
Base-Backbone interact. energy: 0.834
local terms energy: -400.141816
where:
bonds (distance) C4'-P energy: -69.004
bonds (distance) P-C4' energy: -74.408
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -61.454
tors. eta vs tors. theta energy: -114.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1178.463434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.463434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.463434 (E_RNA)
where:
Base-Base interactions energy: -806.971
where: short stacking energy: -332.625
Base-Backbone interact. energy: -0.317
local terms energy: -371.175455
where:
bonds (distance) C4'-P energy: -66.831
bonds (distance) P-C4' energy: -83.615
flat angles C4'-P-C4' energy: -81.315
flat angles P-C4'-P energy: -44.057
tors. eta vs tors. theta energy: -95.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1183.213560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.213560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.213560 (E_RNA)
where:
Base-Base interactions energy: -804.370
where: short stacking energy: -320.567
Base-Backbone interact. energy: -2.678
local terms energy: -376.165572
where:
bonds (distance) C4'-P energy: -74.555
bonds (distance) P-C4' energy: -68.371
flat angles C4'-P-C4' energy: -86.601
flat angles P-C4'-P energy: -56.460
tors. eta vs tors. theta energy: -90.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1043.967971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.967971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.967971 (E_RNA)
where:
Base-Base interactions energy: -699.001
where: short stacking energy: -280.659
Base-Backbone interact. energy: -0.333
local terms energy: -344.634178
where:
bonds (distance) C4'-P energy: -71.060
bonds (distance) P-C4' energy: -71.563
flat angles C4'-P-C4' energy: -65.770
flat angles P-C4'-P energy: -55.479
tors. eta vs tors. theta energy: -80.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -852.801761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.801761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.801761 (E_RNA)
where:
Base-Base interactions energy: -553.582
where: short stacking energy: -235.017
Base-Backbone interact. energy: -2.150
local terms energy: -297.068967
where:
bonds (distance) C4'-P energy: -62.705
bonds (distance) P-C4' energy: -62.198
flat angles C4'-P-C4' energy: -68.629
flat angles P-C4'-P energy: -45.424
tors. eta vs tors. theta energy: -58.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -474.615871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.615871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.615871 (E_RNA)
where:
Base-Base interactions energy: -225.810
where: short stacking energy: -129.014
Base-Backbone interact. energy: -0.227
local terms energy: -248.579474
where:
bonds (distance) C4'-P energy: -72.921
bonds (distance) P-C4' energy: -62.257
flat angles C4'-P-C4' energy: -68.386
flat angles P-C4'-P energy: -36.052
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -526.522055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.522055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.522055 (E_RNA)
where:
Base-Base interactions energy: -299.489
where: short stacking energy: -149.538
Base-Backbone interact. energy: 4.608
local terms energy: -231.640891
where:
bonds (distance) C4'-P energy: -60.878
bonds (distance) P-C4' energy: -59.070
flat angles C4'-P-C4' energy: -63.487
flat angles P-C4'-P energy: -45.395
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -381.362380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.362380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.362380 (E_RNA)
where:
Base-Base interactions energy: -159.579
where: short stacking energy: -92.113
Base-Backbone interact. energy: 0.021
local terms energy: -221.804588
where:
bonds (distance) C4'-P energy: -53.726
bonds (distance) P-C4' energy: -73.119
flat angles C4'-P-C4' energy: -65.914
flat angles P-C4'-P energy: -34.633
tors. eta vs tors. theta energy: 5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1386.869706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.869706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.869706 (E_RNA)
where:
Base-Base interactions energy: -942.479
where: short stacking energy: -389.790
Base-Backbone interact. energy: -0.831
local terms energy: -443.560149
where:
bonds (distance) C4'-P energy: -81.571
bonds (distance) P-C4' energy: -83.873
flat angles C4'-P-C4' energy: -96.653
flat angles P-C4'-P energy: -60.747
tors. eta vs tors. theta energy: -120.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1373.767996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.767996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.767996 (E_RNA)
where:
Base-Base interactions energy: -937.238
where: short stacking energy: -406.152
Base-Backbone interact. energy: -2.185
local terms energy: -434.345151
where:
bonds (distance) C4'-P energy: -79.248
bonds (distance) P-C4' energy: -79.655
flat angles C4'-P-C4' energy: -91.125
flat angles P-C4'-P energy: -58.835
tors. eta vs tors. theta energy: -125.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1321.715929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.715929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.715929 (E_RNA)
where:
Base-Base interactions energy: -915.646
where: short stacking energy: -372.179
Base-Backbone interact. energy: 0.730
local terms energy: -406.799763
where:
bonds (distance) C4'-P energy: -77.543
bonds (distance) P-C4' energy: -70.533
flat angles C4'-P-C4' energy: -83.834
flat angles P-C4'-P energy: -59.735
tors. eta vs tors. theta energy: -115.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1160.096618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.096618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.096618 (E_RNA)
where:
Base-Base interactions energy: -775.813
where: short stacking energy: -341.034
Base-Backbone interact. energy: -0.228
local terms energy: -384.056231
where:
bonds (distance) C4'-P energy: -69.141
bonds (distance) P-C4' energy: -80.155
flat angles C4'-P-C4' energy: -83.030
flat angles P-C4'-P energy: -51.272
tors. eta vs tors. theta energy: -100.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1175.492053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.492053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.492053 (E_RNA)
where:
Base-Base interactions energy: -809.160
where: short stacking energy: -318.972
Base-Backbone interact. energy: -2.734
local terms energy: -363.598083
where:
bonds (distance) C4'-P energy: -75.198
bonds (distance) P-C4' energy: -60.006
flat angles C4'-P-C4' energy: -82.622
flat angles P-C4'-P energy: -62.387
tors. eta vs tors. theta energy: -83.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1038.820705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.820705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.820705 (E_RNA)
where:
Base-Base interactions energy: -680.044
where: short stacking energy: -297.061
Base-Backbone interact. energy: -3.421
local terms energy: -355.355805
where:
bonds (distance) C4'-P energy: -70.932
bonds (distance) P-C4' energy: -76.670
flat angles C4'-P-C4' energy: -74.418
flat angles P-C4'-P energy: -51.930
tors. eta vs tors. theta energy: -81.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -835.528934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.528934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.528934 (E_RNA)
where:
Base-Base interactions energy: -522.813
where: short stacking energy: -237.284
Base-Backbone interact. energy: 3.696
local terms energy: -316.411954
where:
bonds (distance) C4'-P energy: -69.540
bonds (distance) P-C4' energy: -82.677
flat angles C4'-P-C4' energy: -63.960
flat angles P-C4'-P energy: -43.072
tors. eta vs tors. theta energy: -57.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -486.943378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.943378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.943378 (E_RNA)
where:
Base-Base interactions energy: -241.385
where: short stacking energy: -124.354
Base-Backbone interact. energy: -1.576
local terms energy: -243.982008
where:
bonds (distance) C4'-P energy: -62.514
bonds (distance) P-C4' energy: -69.265
flat angles C4'-P-C4' energy: -66.877
flat angles P-C4'-P energy: -38.300
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -577.180652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.180652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.180652 (E_RNA)
where:
Base-Base interactions energy: -306.676
where: short stacking energy: -163.967
Base-Backbone interact. energy: 0.008
local terms energy: -270.512338
where:
bonds (distance) C4'-P energy: -71.356
bonds (distance) P-C4' energy: -82.555
flat angles C4'-P-C4' energy: -63.830
flat angles P-C4'-P energy: -27.954
tors. eta vs tors. theta energy: -24.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -381.284613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.284613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.284613 (E_RNA)
where:
Base-Base interactions energy: -151.620
where: short stacking energy: -98.523
Base-Backbone interact. energy: -2.377
local terms energy: -227.287709
where:
bonds (distance) C4'-P energy: -73.860
bonds (distance) P-C4' energy: -69.139
flat angles C4'-P-C4' energy: -55.005
flat angles P-C4'-P energy: -28.323
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1397.551817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.551817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.551817 (E_RNA)
where:
Base-Base interactions energy: -973.577
where: short stacking energy: -392.867
Base-Backbone interact. energy: -0.080
local terms energy: -423.895227
where:
bonds (distance) C4'-P energy: -78.459
bonds (distance) P-C4' energy: -83.722
flat angles C4'-P-C4' energy: -86.286
flat angles P-C4'-P energy: -56.502
tors. eta vs tors. theta energy: -118.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1393.194072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.194072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.194072 (E_RNA)
where:
Base-Base interactions energy: -934.920
where: short stacking energy: -393.774
Base-Backbone interact. energy: 1.464
local terms energy: -459.738056
where:
bonds (distance) C4'-P energy: -85.897
bonds (distance) P-C4' energy: -85.070
flat angles C4'-P-C4' energy: -99.553
flat angles P-C4'-P energy: -65.651
tors. eta vs tors. theta energy: -123.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1320.547720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.547720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.547720 (E_RNA)
where:
Base-Base interactions energy: -900.730
where: short stacking energy: -362.652
Base-Backbone interact. energy: -2.757
local terms energy: -417.060614
where:
bonds (distance) C4'-P energy: -80.540
bonds (distance) P-C4' energy: -73.955
flat angles C4'-P-C4' energy: -88.929
flat angles P-C4'-P energy: -59.117
tors. eta vs tors. theta energy: -114.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1168.410738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.410738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.410738 (E_RNA)
where:
Base-Base interactions energy: -790.293
where: short stacking energy: -324.480
Base-Backbone interact. energy: -2.481
local terms energy: -375.636862
where:
bonds (distance) C4'-P energy: -62.284
bonds (distance) P-C4' energy: -76.252
flat angles C4'-P-C4' energy: -77.696
flat angles P-C4'-P energy: -61.889
tors. eta vs tors. theta energy: -97.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1182.256827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.256827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.256827 (E_RNA)
where:
Base-Base interactions energy: -825.484
where: short stacking energy: -317.045
Base-Backbone interact. energy: -1.962
local terms energy: -354.810854
where:
bonds (distance) C4'-P energy: -59.569
bonds (distance) P-C4' energy: -75.160
flat angles C4'-P-C4' energy: -69.732
flat angles P-C4'-P energy: -49.827
tors. eta vs tors. theta energy: -100.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1060.292815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.292815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.292815 (E_RNA)
where:
Base-Base interactions energy: -700.660
where: short stacking energy: -303.828
Base-Backbone interact. energy: -0.836
local terms energy: -358.796148
where:
bonds (distance) C4'-P energy: -66.112
bonds (distance) P-C4' energy: -68.654
flat angles C4'-P-C4' energy: -79.163
flat angles P-C4'-P energy: -54.361
tors. eta vs tors. theta energy: -90.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -863.537031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.537031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.537031 (E_RNA)
where:
Base-Base interactions energy: -557.846
where: short stacking energy: -234.754
Base-Backbone interact. energy: 4.812
local terms energy: -310.502862
where:
bonds (distance) C4'-P energy: -70.476
bonds (distance) P-C4' energy: -67.467
flat angles C4'-P-C4' energy: -69.833
flat angles P-C4'-P energy: -48.860
tors. eta vs tors. theta energy: -53.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -632.202609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.202609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.202609 (E_RNA)
where:
Base-Base interactions energy: -357.112
where: short stacking energy: -181.392
Base-Backbone interact. energy: -0.059
local terms energy: -275.031000
where:
bonds (distance) C4'-P energy: -73.264
bonds (distance) P-C4' energy: -63.255
flat angles C4'-P-C4' energy: -64.999
flat angles P-C4'-P energy: -41.167
tors. eta vs tors. theta energy: -32.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -514.655537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.655537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.655537 (E_RNA)
where:
Base-Base interactions energy: -260.831
where: short stacking energy: -151.048
Base-Backbone interact. energy: 1.299
local terms energy: -255.123800
where:
bonds (distance) C4'-P energy: -69.209
bonds (distance) P-C4' energy: -59.159
flat angles C4'-P-C4' energy: -53.337
flat angles P-C4'-P energy: -55.335
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -387.626858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.626858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.626858 (E_RNA)
where:
Base-Base interactions energy: -168.394
where: short stacking energy: -112.451
Base-Backbone interact. energy: 2.128
local terms energy: -221.361204
where:
bonds (distance) C4'-P energy: -69.438
bonds (distance) P-C4' energy: -78.042
flat angles C4'-P-C4' energy: -61.529
flat angles P-C4'-P energy: -25.887
tors. eta vs tors. theta energy: 13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1409.196896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.196896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.196896 (E_RNA)
where:
Base-Base interactions energy: -971.737
where: short stacking energy: -414.271
Base-Backbone interact. energy: -2.422
local terms energy: -435.038619
where:
bonds (distance) C4'-P energy: -86.059
bonds (distance) P-C4' energy: -76.163
flat angles C4'-P-C4' energy: -90.124
flat angles P-C4'-P energy: -58.101
tors. eta vs tors. theta energy: -124.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1350.374207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.374207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.374207 (E_RNA)
where:
Base-Base interactions energy: -921.770
where: short stacking energy: -394.310
Base-Backbone interact. energy: -1.433
local terms energy: -427.170372
where:
bonds (distance) C4'-P energy: -75.971
bonds (distance) P-C4' energy: -72.235
flat angles C4'-P-C4' energy: -84.554
flat angles P-C4'-P energy: -64.503
tors. eta vs tors. theta energy: -129.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1335.953002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.953002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.953002 (E_RNA)
where:
Base-Base interactions energy: -911.813
where: short stacking energy: -388.733
Base-Backbone interact. energy: -3.695
local terms energy: -420.445301
where:
bonds (distance) C4'-P energy: -75.705
bonds (distance) P-C4' energy: -89.874
flat angles C4'-P-C4' energy: -80.583
flat angles P-C4'-P energy: -58.221
tors. eta vs tors. theta energy: -116.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1202.356697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.356697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.356697 (E_RNA)
where:
Base-Base interactions energy: -797.054
where: short stacking energy: -348.535
Base-Backbone interact. energy: -0.347
local terms energy: -404.955073
where:
bonds (distance) C4'-P energy: -83.444
bonds (distance) P-C4' energy: -73.804
flat angles C4'-P-C4' energy: -83.267
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: -108.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1190.668120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.668120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.668120 (E_RNA)
where:
Base-Base interactions energy: -829.852
where: short stacking energy: -317.745
Base-Backbone interact. energy: 0.517
local terms energy: -361.333396
where:
bonds (distance) C4'-P energy: -75.097
bonds (distance) P-C4' energy: -76.240
flat angles C4'-P-C4' energy: -65.703
flat angles P-C4'-P energy: -49.727
tors. eta vs tors. theta energy: -94.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1102.223242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.223242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.223242 (E_RNA)
where:
Base-Base interactions energy: -748.068
where: short stacking energy: -316.820
Base-Backbone interact. energy: -1.582
local terms energy: -352.573334
where:
bonds (distance) C4'-P energy: -60.078
bonds (distance) P-C4' energy: -72.193
flat angles C4'-P-C4' energy: -71.485
flat angles P-C4'-P energy: -51.933
tors. eta vs tors. theta energy: -96.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -841.166302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.166302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.166302 (E_RNA)
where:
Base-Base interactions energy: -523.564
where: short stacking energy: -248.186
Base-Backbone interact. energy: -0.154
local terms energy: -317.447834
where:
bonds (distance) C4'-P energy: -75.145
bonds (distance) P-C4' energy: -63.576
flat angles C4'-P-C4' energy: -67.029
flat angles P-C4'-P energy: -50.299
tors. eta vs tors. theta energy: -61.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -652.454474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.454474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.454474 (E_RNA)
where:
Base-Base interactions energy: -384.194
where: short stacking energy: -184.743
Base-Backbone interact. energy: -1.316
local terms energy: -266.943777
where:
bonds (distance) C4'-P energy: -68.675
bonds (distance) P-C4' energy: -67.277
flat angles C4'-P-C4' energy: -56.992
flat angles P-C4'-P energy: -38.075
tors. eta vs tors. theta energy: -35.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -436.507042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.507042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.507042 (E_RNA)
where:
Base-Base interactions energy: -205.867
where: short stacking energy: -123.036
Base-Backbone interact. energy: -2.578
local terms energy: -228.062432
where:
bonds (distance) C4'-P energy: -68.082
bonds (distance) P-C4' energy: -60.397
flat angles C4'-P-C4' energy: -57.713
flat angles P-C4'-P energy: -45.085
tors. eta vs tors. theta energy: 3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -408.853903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.853903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.853903 (E_RNA)
where:
Base-Base interactions energy: -180.778
where: short stacking energy: -117.340
Base-Backbone interact. energy: -1.485
local terms energy: -226.590360
where:
bonds (distance) C4'-P energy: -62.155
bonds (distance) P-C4' energy: -71.733
flat angles C4'-P-C4' energy: -56.107
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -7.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1411.134215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.134215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.134215 (E_RNA)
where:
Base-Base interactions energy: -962.719
where: short stacking energy: -399.798
Base-Backbone interact. energy: 0.139
local terms energy: -448.554054
where:
bonds (distance) C4'-P energy: -80.100
bonds (distance) P-C4' energy: -77.449
flat angles C4'-P-C4' energy: -102.906
flat angles P-C4'-P energy: -64.697
tors. eta vs tors. theta energy: -123.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1351.246275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.246275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.246275 (E_RNA)
where:
Base-Base interactions energy: -936.197
where: short stacking energy: -383.557
Base-Backbone interact. energy: 1.114
local terms energy: -416.163190
where:
bonds (distance) C4'-P energy: -75.411
bonds (distance) P-C4' energy: -77.156
flat angles C4'-P-C4' energy: -92.223
flat angles P-C4'-P energy: -52.863
tors. eta vs tors. theta energy: -118.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1332.131789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.131789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.131789 (E_RNA)
where:
Base-Base interactions energy: -906.337
where: short stacking energy: -360.575
Base-Backbone interact. energy: -2.133
local terms energy: -423.661519
where:
bonds (distance) C4'-P energy: -70.868
bonds (distance) P-C4' energy: -80.637
flat angles C4'-P-C4' energy: -87.157
flat angles P-C4'-P energy: -60.743
tors. eta vs tors. theta energy: -124.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1233.189460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.189460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.189460 (E_RNA)
where:
Base-Base interactions energy: -870.401
where: short stacking energy: -333.758
Base-Backbone interact. energy: -2.601
local terms energy: -360.187935
where:
bonds (distance) C4'-P energy: -71.980
bonds (distance) P-C4' energy: -70.239
flat angles C4'-P-C4' energy: -74.232
flat angles P-C4'-P energy: -49.449
tors. eta vs tors. theta energy: -94.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1180.008623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.008623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.008623 (E_RNA)
where:
Base-Base interactions energy: -801.137
where: short stacking energy: -340.439
Base-Backbone interact. energy: -0.627
local terms energy: -378.244845
where:
bonds (distance) C4'-P energy: -70.729
bonds (distance) P-C4' energy: -59.155
flat angles C4'-P-C4' energy: -82.935
flat angles P-C4'-P energy: -58.505
tors. eta vs tors. theta energy: -106.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1120.493696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.493696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.493696 (E_RNA)
where:
Base-Base interactions energy: -743.559
where: short stacking energy: -324.702
Base-Backbone interact. energy: -1.958
local terms energy: -374.977396
where:
bonds (distance) C4'-P energy: -67.994
bonds (distance) P-C4' energy: -81.147
flat angles C4'-P-C4' energy: -80.237
flat angles P-C4'-P energy: -37.649
tors. eta vs tors. theta energy: -107.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -836.134342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.134342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.134342 (E_RNA)
where:
Base-Base interactions energy: -539.946
where: short stacking energy: -243.379
Base-Backbone interact. energy: -1.576
local terms energy: -294.612776
where:
bonds (distance) C4'-P energy: -68.164
bonds (distance) P-C4' energy: -63.465
flat angles C4'-P-C4' energy: -62.191
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -62.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -690.714063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.714063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.714063 (E_RNA)
where:
Base-Base interactions energy: -415.312
where: short stacking energy: -192.256
Base-Backbone interact. energy: -1.058
local terms energy: -274.344908
where:
bonds (distance) C4'-P energy: -63.414
bonds (distance) P-C4' energy: -64.594
flat angles C4'-P-C4' energy: -65.661
flat angles P-C4'-P energy: -47.693
tors. eta vs tors. theta energy: -32.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -400.286792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.286792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.286792 (E_RNA)
where:
Base-Base interactions energy: -193.303
where: short stacking energy: -124.215
Base-Backbone interact. energy: -2.049
local terms energy: -204.935444
where:
bonds (distance) C4'-P energy: -64.668
bonds (distance) P-C4' energy: -63.780
flat angles C4'-P-C4' energy: -47.335
flat angles P-C4'-P energy: -27.233
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -397.998028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.998028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.998028 (E_RNA)
where:
Base-Base interactions energy: -189.577
where: short stacking energy: -122.795
Base-Backbone interact. energy: -0.342
local terms energy: -208.078426
where:
bonds (distance) C4'-P energy: -67.204
bonds (distance) P-C4' energy: -64.953
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -38.705
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1423.384605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.384605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.384605 (E_RNA)
where:
Base-Base interactions energy: -975.059
where: short stacking energy: -409.821
Base-Backbone interact. energy: 0.180
local terms energy: -448.506147
where:
bonds (distance) C4'-P energy: -81.034
bonds (distance) P-C4' energy: -81.370
flat angles C4'-P-C4' energy: -84.130
flat angles P-C4'-P energy: -67.740
tors. eta vs tors. theta energy: -134.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1353.587376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.587376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.587376 (E_RNA)
where:
Base-Base interactions energy: -924.763
where: short stacking energy: -380.070
Base-Backbone interact. energy: -0.350
local terms energy: -428.474563
where:
bonds (distance) C4'-P energy: -77.599
bonds (distance) P-C4' energy: -79.146
flat angles C4'-P-C4' energy: -92.014
flat angles P-C4'-P energy: -56.777
tors. eta vs tors. theta energy: -122.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1328.788343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.788343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.788343 (E_RNA)
where:
Base-Base interactions energy: -919.552
where: short stacking energy: -380.035
Base-Backbone interact. energy: -0.627
local terms energy: -408.609080
where:
bonds (distance) C4'-P energy: -71.124
bonds (distance) P-C4' energy: -79.520
flat angles C4'-P-C4' energy: -83.378
flat angles P-C4'-P energy: -57.493
tors. eta vs tors. theta energy: -117.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1209.949191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.949191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.949191 (E_RNA)
where:
Base-Base interactions energy: -840.753
where: short stacking energy: -340.931
Base-Backbone interact. energy: 0.183
local terms energy: -369.378979
where:
bonds (distance) C4'-P energy: -78.224
bonds (distance) P-C4' energy: -70.914
flat angles C4'-P-C4' energy: -78.756
flat angles P-C4'-P energy: -50.012
tors. eta vs tors. theta energy: -91.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1142.448063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.448063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.448063 (E_RNA)
where:
Base-Base interactions energy: -767.015
where: short stacking energy: -324.172
Base-Backbone interact. energy: -1.716
local terms energy: -373.717032
where:
bonds (distance) C4'-P energy: -62.027
bonds (distance) P-C4' energy: -72.131
flat angles C4'-P-C4' energy: -82.739
flat angles P-C4'-P energy: -57.394
tors. eta vs tors. theta energy: -99.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1062.384756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.384756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.384756 (E_RNA)
where:
Base-Base interactions energy: -721.850
where: short stacking energy: -311.989
Base-Backbone interact. energy: -0.399
local terms energy: -340.135855
where:
bonds (distance) C4'-P energy: -81.297
bonds (distance) P-C4' energy: -63.016
flat angles C4'-P-C4' energy: -73.459
flat angles P-C4'-P energy: -44.563
tors. eta vs tors. theta energy: -77.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -898.457406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.457406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.457406 (E_RNA)
where:
Base-Base interactions energy: -583.123
where: short stacking energy: -254.022
Base-Backbone interact. energy: -2.831
local terms energy: -312.503403
where:
bonds (distance) C4'-P energy: -59.432
bonds (distance) P-C4' energy: -64.278
flat angles C4'-P-C4' energy: -77.090
flat angles P-C4'-P energy: -44.147
tors. eta vs tors. theta energy: -67.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -647.725324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.725324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.725324 (E_RNA)
where:
Base-Base interactions energy: -364.247
where: short stacking energy: -184.117
Base-Backbone interact. energy: -0.554
local terms energy: -282.924255
where:
bonds (distance) C4'-P energy: -75.159
bonds (distance) P-C4' energy: -69.763
flat angles C4'-P-C4' energy: -68.464
flat angles P-C4'-P energy: -35.894
tors. eta vs tors. theta energy: -33.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -428.330235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.330235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.330235 (E_RNA)
where:
Base-Base interactions energy: -193.359
where: short stacking energy: -126.042
Base-Backbone interact. energy: 0.407
local terms energy: -235.377877
where:
bonds (distance) C4'-P energy: -59.383
bonds (distance) P-C4' energy: -61.089
flat angles C4'-P-C4' energy: -66.086
flat angles P-C4'-P energy: -36.750
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -396.054830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.054830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.054830 (E_RNA)
where:
Base-Base interactions energy: -164.404
where: short stacking energy: -105.361
Base-Backbone interact. energy: -1.025
local terms energy: -230.626012
where:
bonds (distance) C4'-P energy: -58.893
bonds (distance) P-C4' energy: -69.492
flat angles C4'-P-C4' energy: -63.030
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1411.259711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.259711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.259711 (E_RNA)
where:
Base-Base interactions energy: -971.672
where: short stacking energy: -399.732
Base-Backbone interact. energy: -1.826
local terms energy: -437.762170
where:
bonds (distance) C4'-P energy: -83.832
bonds (distance) P-C4' energy: -81.366
flat angles C4'-P-C4' energy: -81.583
flat angles P-C4'-P energy: -58.143
tors. eta vs tors. theta energy: -132.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1360.231806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.231806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.231806 (E_RNA)
where:
Base-Base interactions energy: -938.116
where: short stacking energy: -378.107
Base-Backbone interact. energy: -2.701
local terms energy: -419.414422
where:
bonds (distance) C4'-P energy: -76.991
bonds (distance) P-C4' energy: -84.223
flat angles C4'-P-C4' energy: -81.641
flat angles P-C4'-P energy: -51.222
tors. eta vs tors. theta energy: -125.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1325.434426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.434426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.434426 (E_RNA)
where:
Base-Base interactions energy: -942.759
where: short stacking energy: -384.873
Base-Backbone interact. energy: -5.016
local terms energy: -377.659451
where:
bonds (distance) C4'-P energy: -59.883
bonds (distance) P-C4' energy: -81.726
flat angles C4'-P-C4' energy: -80.597
flat angles P-C4'-P energy: -44.333
tors. eta vs tors. theta energy: -111.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1218.083556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.083556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.083556 (E_RNA)
where:
Base-Base interactions energy: -863.902
where: short stacking energy: -339.560
Base-Backbone interact. energy: -0.233
local terms energy: -353.948674
where:
bonds (distance) C4'-P energy: -75.501
bonds (distance) P-C4' energy: -70.583
flat angles C4'-P-C4' energy: -79.461
flat angles P-C4'-P energy: -41.988
tors. eta vs tors. theta energy: -86.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1173.396638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.396638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.396638 (E_RNA)
where:
Base-Base interactions energy: -799.317
where: short stacking energy: -339.857
Base-Backbone interact. energy: -0.729
local terms energy: -373.349941
where:
bonds (distance) C4'-P energy: -71.706
bonds (distance) P-C4' energy: -58.653
flat angles C4'-P-C4' energy: -79.267
flat angles P-C4'-P energy: -51.303
tors. eta vs tors. theta energy: -112.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1132.743285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.743285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.743285 (E_RNA)
where:
Base-Base interactions energy: -752.492
where: short stacking energy: -338.269
Base-Backbone interact. energy: -2.351
local terms energy: -377.899878
where:
bonds (distance) C4'-P energy: -69.432
bonds (distance) P-C4' energy: -77.376
flat angles C4'-P-C4' energy: -71.979
flat angles P-C4'-P energy: -57.384
tors. eta vs tors. theta energy: -101.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -947.318289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.318289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.318289 (E_RNA)
where:
Base-Base interactions energy: -625.874
where: short stacking energy: -272.878
Base-Backbone interact. energy: -1.385
local terms energy: -320.059106
where:
bonds (distance) C4'-P energy: -70.249
bonds (distance) P-C4' energy: -73.052
flat angles C4'-P-C4' energy: -62.274
flat angles P-C4'-P energy: -43.136
tors. eta vs tors. theta energy: -71.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -687.151266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.151266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.151266 (E_RNA)
where:
Base-Base interactions energy: -412.710
where: short stacking energy: -200.998
Base-Backbone interact. energy: 0.522
local terms energy: -274.962907
where:
bonds (distance) C4'-P energy: -59.350
bonds (distance) P-C4' energy: -68.645
flat angles C4'-P-C4' energy: -72.544
flat angles P-C4'-P energy: -40.848
tors. eta vs tors. theta energy: -33.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -450.017125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.017125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.017125 (E_RNA)
where:
Base-Base interactions energy: -194.229
where: short stacking energy: -106.480
Base-Backbone interact. energy: 1.898
local terms energy: -257.686214
where:
bonds (distance) C4'-P energy: -72.785
bonds (distance) P-C4' energy: -74.459
flat angles C4'-P-C4' energy: -68.836
flat angles P-C4'-P energy: -37.730
tors. eta vs tors. theta energy: -3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -411.471560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.471560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.471560 (E_RNA)
where:
Base-Base interactions energy: -211.720
where: short stacking energy: -99.889
Base-Backbone interact. energy: 0.828
local terms energy: -200.579909
where:
bonds (distance) C4'-P energy: -47.025
bonds (distance) P-C4' energy: -82.210
flat angles C4'-P-C4' energy: -52.502
flat angles P-C4'-P energy: -37.651
tors. eta vs tors. theta energy: 18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1416.201196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.201196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.201196 (E_RNA)
where:
Base-Base interactions energy: -973.685
where: short stacking energy: -420.971
Base-Backbone interact. energy: -1.534
local terms energy: -440.982073
where:
bonds (distance) C4'-P energy: -76.663
bonds (distance) P-C4' energy: -87.775
flat angles C4'-P-C4' energy: -90.069
flat angles P-C4'-P energy: -55.464
tors. eta vs tors. theta energy: -131.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1325.988985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.988985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.988985 (E_RNA)
where:
Base-Base interactions energy: -898.718
where: short stacking energy: -375.414
Base-Backbone interact. energy: -0.136
local terms energy: -427.134315
where:
bonds (distance) C4'-P energy: -67.486
bonds (distance) P-C4' energy: -77.903
flat angles C4'-P-C4' energy: -96.461
flat angles P-C4'-P energy: -59.901
tors. eta vs tors. theta energy: -125.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1326.815289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.815289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.815289 (E_RNA)
where:
Base-Base interactions energy: -920.755
where: short stacking energy: -353.389
Base-Backbone interact. energy: -2.170
local terms energy: -403.889526
where:
bonds (distance) C4'-P energy: -76.416
bonds (distance) P-C4' energy: -76.109
flat angles C4'-P-C4' energy: -81.397
flat angles P-C4'-P energy: -58.968
tors. eta vs tors. theta energy: -110.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1236.363921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.363921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.363921 (E_RNA)
where:
Base-Base interactions energy: -843.540
where: short stacking energy: -316.178
Base-Backbone interact. energy: -2.875
local terms energy: -389.949325
where:
bonds (distance) C4'-P energy: -78.749
bonds (distance) P-C4' energy: -82.099
flat angles C4'-P-C4' energy: -77.493
flat angles P-C4'-P energy: -62.197
tors. eta vs tors. theta energy: -89.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1165.590088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.590088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.590088 (E_RNA)
where:
Base-Base interactions energy: -787.475
where: short stacking energy: -340.846
Base-Backbone interact. energy: 0.045
local terms energy: -378.159664
where:
bonds (distance) C4'-P energy: -63.652
bonds (distance) P-C4' energy: -72.948
flat angles C4'-P-C4' energy: -84.905
flat angles P-C4'-P energy: -56.512
tors. eta vs tors. theta energy: -100.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1108.823167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.823167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.823167 (E_RNA)
where:
Base-Base interactions energy: -752.025
where: short stacking energy: -323.785
Base-Backbone interact. energy: 1.218
local terms energy: -358.016160
where:
bonds (distance) C4'-P energy: -71.572
bonds (distance) P-C4' energy: -62.785
flat angles C4'-P-C4' energy: -85.456
flat angles P-C4'-P energy: -49.457
tors. eta vs tors. theta energy: -88.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -925.072009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.072009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.072009 (E_RNA)
where:
Base-Base interactions energy: -594.607
where: short stacking energy: -259.358
Base-Backbone interact. energy: -2.294
local terms energy: -328.171185
where:
bonds (distance) C4'-P energy: -70.084
bonds (distance) P-C4' energy: -61.680
flat angles C4'-P-C4' energy: -65.933
flat angles P-C4'-P energy: -46.707
tors. eta vs tors. theta energy: -83.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -695.706638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.706638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.706638 (E_RNA)
where:
Base-Base interactions energy: -399.140
where: short stacking energy: -209.227
Base-Backbone interact. energy: -1.755
local terms energy: -294.811885
where:
bonds (distance) C4'-P energy: -58.550
bonds (distance) P-C4' energy: -71.707
flat angles C4'-P-C4' energy: -72.615
flat angles P-C4'-P energy: -38.843
tors. eta vs tors. theta energy: -53.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -432.129734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.129734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.129734 (E_RNA)
where:
Base-Base interactions energy: -210.472
where: short stacking energy: -118.915
Base-Backbone interact. energy: 0.675
local terms energy: -222.332520
where:
bonds (distance) C4'-P energy: -65.170
bonds (distance) P-C4' energy: -63.001
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -35.102
tors. eta vs tors. theta energy: 1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -362.643212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.643212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.643212 (E_RNA)
where:
Base-Base interactions energy: -145.895
where: short stacking energy: -81.786
Base-Backbone interact. energy: 0.888
local terms energy: -217.635699
where:
bonds (distance) C4'-P energy: -76.229
bonds (distance) P-C4' energy: -59.532
flat angles C4'-P-C4' energy: -67.802
flat angles P-C4'-P energy: -35.372
tors. eta vs tors. theta energy: 21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1392.721080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.721080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.721080 (E_RNA)
where:
Base-Base interactions energy: -960.607
where: short stacking energy: -401.100
Base-Backbone interact. energy: -0.105
local terms energy: -432.009493
where:
bonds (distance) C4'-P energy: -80.619
bonds (distance) P-C4' energy: -84.610
flat angles C4'-P-C4' energy: -90.273
flat angles P-C4'-P energy: -51.970
tors. eta vs tors. theta energy: -124.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1343.751602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.751602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.751602 (E_RNA)
where:
Base-Base interactions energy: -939.768
where: short stacking energy: -385.619
Base-Backbone interact. energy: -3.089
local terms energy: -400.893766
where:
bonds (distance) C4'-P energy: -68.220
bonds (distance) P-C4' energy: -80.118
flat angles C4'-P-C4' energy: -86.455
flat angles P-C4'-P energy: -44.198
tors. eta vs tors. theta energy: -121.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1316.243995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.243995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.243995 (E_RNA)
where:
Base-Base interactions energy: -903.762
where: short stacking energy: -356.562
Base-Backbone interact. energy: -2.867
local terms energy: -409.615031
where:
bonds (distance) C4'-P energy: -77.639
bonds (distance) P-C4' energy: -69.733
flat angles C4'-P-C4' energy: -95.733
flat angles P-C4'-P energy: -52.367
tors. eta vs tors. theta energy: -114.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1226.989160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.989160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.989160 (E_RNA)
where:
Base-Base interactions energy: -842.954
where: short stacking energy: -331.399
Base-Backbone interact. energy: -2.469
local terms energy: -381.566075
where:
bonds (distance) C4'-P energy: -78.293
bonds (distance) P-C4' energy: -83.694
flat angles C4'-P-C4' energy: -76.967
flat angles P-C4'-P energy: -48.748
tors. eta vs tors. theta energy: -93.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1182.142395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.142395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.142395 (E_RNA)
where:
Base-Base interactions energy: -819.206
where: short stacking energy: -352.099
Base-Backbone interact. energy: -1.971
local terms energy: -360.965579
where:
bonds (distance) C4'-P energy: -61.309
bonds (distance) P-C4' energy: -66.528
flat angles C4'-P-C4' energy: -76.924
flat angles P-C4'-P energy: -50.010
tors. eta vs tors. theta energy: -106.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1089.218891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.218891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.218891 (E_RNA)
where:
Base-Base interactions energy: -734.987
where: short stacking energy: -313.193
Base-Backbone interact. energy: -1.095
local terms energy: -353.135940
where:
bonds (distance) C4'-P energy: -57.880
bonds (distance) P-C4' energy: -75.423
flat angles C4'-P-C4' energy: -75.131
flat angles P-C4'-P energy: -56.581
tors. eta vs tors. theta energy: -88.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -945.332603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.332603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.332603 (E_RNA)
where:
Base-Base interactions energy: -623.459
where: short stacking energy: -278.271
Base-Backbone interact. energy: -0.842
local terms energy: -321.031915
where:
bonds (distance) C4'-P energy: -70.467
bonds (distance) P-C4' energy: -56.078
flat angles C4'-P-C4' energy: -76.808
flat angles P-C4'-P energy: -36.441
tors. eta vs tors. theta energy: -81.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -698.423482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.423482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.423482 (E_RNA)
where:
Base-Base interactions energy: -417.213
where: short stacking energy: -209.015
Base-Backbone interact. energy: 1.101
local terms energy: -282.310978
where:
bonds (distance) C4'-P energy: -57.730
bonds (distance) P-C4' energy: -64.343
flat angles C4'-P-C4' energy: -71.421
flat angles P-C4'-P energy: -33.761
tors. eta vs tors. theta energy: -55.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -425.076805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.076805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.076805 (E_RNA)
where:
Base-Base interactions energy: -200.312
where: short stacking energy: -122.246
Base-Backbone interact. energy: -0.269
local terms energy: -224.495662
where:
bonds (distance) C4'-P energy: -57.871
bonds (distance) P-C4' energy: -65.232
flat angles C4'-P-C4' energy: -53.543
flat angles P-C4'-P energy: -34.772
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -426.305762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.305762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.305762 (E_RNA)
where:
Base-Base interactions energy: -191.592
where: short stacking energy: -131.651
Base-Backbone interact. energy: 0.370
local terms energy: -235.084014
where:
bonds (distance) C4'-P energy: -67.895
bonds (distance) P-C4' energy: -59.262
flat angles C4'-P-C4' energy: -69.982
flat angles P-C4'-P energy: -28.160
tors. eta vs tors. theta energy: -9.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1409.561480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.561480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.561480 (E_RNA)
where:
Base-Base interactions energy: -976.837
where: short stacking energy: -412.448
Base-Backbone interact. energy: 0.265
local terms energy: -432.989480
where:
bonds (distance) C4'-P energy: -79.388
bonds (distance) P-C4' energy: -80.610
flat angles C4'-P-C4' energy: -82.108
flat angles P-C4'-P energy: -62.664
tors. eta vs tors. theta energy: -128.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1338.122626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.122626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.122626 (E_RNA)
where:
Base-Base interactions energy: -907.116
where: short stacking energy: -358.901
Base-Backbone interact. energy: -5.873
local terms energy: -425.133472
where:
bonds (distance) C4'-P energy: -79.727
bonds (distance) P-C4' energy: -76.731
flat angles C4'-P-C4' energy: -83.028
flat angles P-C4'-P energy: -60.830
tors. eta vs tors. theta energy: -124.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1305.333193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.333193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.333193 (E_RNA)
where:
Base-Base interactions energy: -917.500
where: short stacking energy: -368.926
Base-Backbone interact. energy: -0.244
local terms energy: -387.589937
where:
bonds (distance) C4'-P energy: -74.085
bonds (distance) P-C4' energy: -62.853
flat angles C4'-P-C4' energy: -82.261
flat angles P-C4'-P energy: -51.853
tors. eta vs tors. theta energy: -116.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1219.006672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.006672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.006672 (E_RNA)
where:
Base-Base interactions energy: -838.101
where: short stacking energy: -332.521
Base-Backbone interact. energy: -1.892
local terms energy: -379.013707
where:
bonds (distance) C4'-P energy: -77.175
bonds (distance) P-C4' energy: -70.417
flat angles C4'-P-C4' energy: -78.584
flat angles P-C4'-P energy: -53.382
tors. eta vs tors. theta energy: -99.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1186.026779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.026779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.026779 (E_RNA)
where:
Base-Base interactions energy: -787.012
where: short stacking energy: -357.037
Base-Backbone interact. energy: 2.864
local terms energy: -401.878506
where:
bonds (distance) C4'-P energy: -72.055
bonds (distance) P-C4' energy: -85.871
flat angles C4'-P-C4' energy: -78.774
flat angles P-C4'-P energy: -59.871
tors. eta vs tors. theta energy: -105.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1067.090803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.090803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.090803 (E_RNA)
where:
Base-Base interactions energy: -717.007
where: short stacking energy: -314.172
Base-Backbone interact. energy: -1.428
local terms energy: -348.655514
where:
bonds (distance) C4'-P energy: -58.195
bonds (distance) P-C4' energy: -73.453
flat angles C4'-P-C4' energy: -76.096
flat angles P-C4'-P energy: -50.397
tors. eta vs tors. theta energy: -90.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -907.223973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.223973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.223973 (E_RNA)
where:
Base-Base interactions energy: -569.526
where: short stacking energy: -264.419
Base-Backbone interact. energy: -0.231
local terms energy: -337.466553
where:
bonds (distance) C4'-P energy: -57.786
bonds (distance) P-C4' energy: -74.640
flat angles C4'-P-C4' energy: -73.893
flat angles P-C4'-P energy: -44.510
tors. eta vs tors. theta energy: -86.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -641.629879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.629879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.629879 (E_RNA)
where:
Base-Base interactions energy: -378.237
where: short stacking energy: -159.485
Base-Backbone interact. energy: -1.579
local terms energy: -261.814242
where:
bonds (distance) C4'-P energy: -67.313
bonds (distance) P-C4' energy: -75.561
flat angles C4'-P-C4' energy: -54.824
flat angles P-C4'-P energy: -32.627
tors. eta vs tors. theta energy: -31.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -454.922196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.922196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.922196 (E_RNA)
where:
Base-Base interactions energy: -230.432
where: short stacking energy: -135.808
Base-Backbone interact. energy: 4.270
local terms energy: -228.759660
where:
bonds (distance) C4'-P energy: -66.185
bonds (distance) P-C4' energy: -63.530
flat angles C4'-P-C4' energy: -63.773
flat angles P-C4'-P energy: -33.763
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -400.781936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.781936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.781936 (E_RNA)
where:
Base-Base interactions energy: -182.551
where: short stacking energy: -99.667
Base-Backbone interact. energy: -0.956
local terms energy: -217.274738
where:
bonds (distance) C4'-P energy: -61.625
bonds (distance) P-C4' energy: -78.033
flat angles C4'-P-C4' energy: -61.244
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: 6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1410.777180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.777180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.777180 (E_RNA)
where:
Base-Base interactions energy: -968.443
where: short stacking energy: -410.833
Base-Backbone interact. energy: 0.384
local terms energy: -442.717960
where:
bonds (distance) C4'-P energy: -76.705
bonds (distance) P-C4' energy: -78.628
flat angles C4'-P-C4' energy: -98.810
flat angles P-C4'-P energy: -62.334
tors. eta vs tors. theta energy: -126.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1370.156274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.156274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.156274 (E_RNA)
where:
Base-Base interactions energy: -946.404
where: short stacking energy: -367.075
Base-Backbone interact. energy: -2.784
local terms energy: -420.967635
where:
bonds (distance) C4'-P energy: -70.368
bonds (distance) P-C4' energy: -83.655
flat angles C4'-P-C4' energy: -95.701
flat angles P-C4'-P energy: -51.429
tors. eta vs tors. theta energy: -119.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1299.625382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.625382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.625382 (E_RNA)
where:
Base-Base interactions energy: -893.671
where: short stacking energy: -365.443
Base-Backbone interact. energy: -0.927
local terms energy: -405.027562
where:
bonds (distance) C4'-P energy: -73.576
bonds (distance) P-C4' energy: -68.758
flat angles C4'-P-C4' energy: -91.460
flat angles P-C4'-P energy: -55.844
tors. eta vs tors. theta energy: -115.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1214.456644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.456644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.456644 (E_RNA)
where:
Base-Base interactions energy: -801.104
where: short stacking energy: -359.428
Base-Backbone interact. energy: 0.188
local terms energy: -413.540440
where:
bonds (distance) C4'-P energy: -71.050
bonds (distance) P-C4' energy: -77.399
flat angles C4'-P-C4' energy: -91.182
flat angles P-C4'-P energy: -60.200
tors. eta vs tors. theta energy: -113.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1178.380892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.380892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.380892 (E_RNA)
where:
Base-Base interactions energy: -823.644
where: short stacking energy: -327.324
Base-Backbone interact. energy: 0.501
local terms energy: -355.238599
where:
bonds (distance) C4'-P energy: -73.229
bonds (distance) P-C4' energy: -75.863
flat angles C4'-P-C4' energy: -68.498
flat angles P-C4'-P energy: -44.915
tors. eta vs tors. theta energy: -92.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1090.330664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.330664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.330664 (E_RNA)
where:
Base-Base interactions energy: -731.685
where: short stacking energy: -294.204
Base-Backbone interact. energy: -1.052
local terms energy: -357.593788
where:
bonds (distance) C4'-P energy: -78.019
bonds (distance) P-C4' energy: -69.001
flat angles C4'-P-C4' energy: -82.266
flat angles P-C4'-P energy: -45.824
tors. eta vs tors. theta energy: -82.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -894.698335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.698335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.698335 (E_RNA)
where:
Base-Base interactions energy: -571.197
where: short stacking energy: -260.539
Base-Backbone interact. energy: 4.328
local terms energy: -327.830041
where:
bonds (distance) C4'-P energy: -66.545
bonds (distance) P-C4' energy: -73.905
flat angles C4'-P-C4' energy: -72.371
flat angles P-C4'-P energy: -54.828
tors. eta vs tors. theta energy: -60.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -583.805948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.805948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.805948 (E_RNA)
where:
Base-Base interactions energy: -333.450
where: short stacking energy: -145.775
Base-Backbone interact. energy: -1.517
local terms energy: -248.838847
where:
bonds (distance) C4'-P energy: -70.755
bonds (distance) P-C4' energy: -65.703
flat angles C4'-P-C4' energy: -73.409
flat angles P-C4'-P energy: -28.782
tors. eta vs tors. theta energy: -10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -446.052748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.052748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.052748 (E_RNA)
where:
Base-Base interactions energy: -225.058
where: short stacking energy: -124.069
Base-Backbone interact. energy: -1.001
local terms energy: -219.994424
where:
bonds (distance) C4'-P energy: -70.855
bonds (distance) P-C4' energy: -66.587
flat angles C4'-P-C4' energy: -68.038
flat angles P-C4'-P energy: -25.456
tors. eta vs tors. theta energy: 10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -399.262730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.262730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.262730 (E_RNA)
where:
Base-Base interactions energy: -177.886
where: short stacking energy: -108.195
Base-Backbone interact. energy: -2.190
local terms energy: -219.186842
where:
bonds (distance) C4'-P energy: -62.964
bonds (distance) P-C4' energy: -70.853
flat angles C4'-P-C4' energy: -56.122
flat angles P-C4'-P energy: -29.489
tors. eta vs tors. theta energy: 0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1414.015149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.015149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.015149 (E_RNA)
where:
Base-Base interactions energy: -970.185
where: short stacking energy: -426.970
Base-Backbone interact. energy: -0.612
local terms energy: -443.218134
where:
bonds (distance) C4'-P energy: -71.175
bonds (distance) P-C4' energy: -86.014
flat angles C4'-P-C4' energy: -94.261
flat angles P-C4'-P energy: -59.885
tors. eta vs tors. theta energy: -131.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1366.182436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.182436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.182436 (E_RNA)
where:
Base-Base interactions energy: -944.162
where: short stacking energy: -374.543
Base-Backbone interact. energy: -1.718
local terms energy: -420.302485
where:
bonds (distance) C4'-P energy: -75.687
bonds (distance) P-C4' energy: -78.555
flat angles C4'-P-C4' energy: -79.828
flat angles P-C4'-P energy: -61.572
tors. eta vs tors. theta energy: -124.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1304.550818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.550818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.550818 (E_RNA)
where:
Base-Base interactions energy: -895.223
where: short stacking energy: -368.164
Base-Backbone interact. energy: 0.473
local terms energy: -409.801178
where:
bonds (distance) C4'-P energy: -65.579
bonds (distance) P-C4' energy: -76.063
flat angles C4'-P-C4' energy: -90.683
flat angles P-C4'-P energy: -62.079
tors. eta vs tors. theta energy: -115.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1231.648096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.648096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.648096 (E_RNA)
where:
Base-Base interactions energy: -834.036
where: short stacking energy: -358.208
Base-Backbone interact. energy: -1.861
local terms energy: -395.751290
where:
bonds (distance) C4'-P energy: -65.697
bonds (distance) P-C4' energy: -82.302
flat angles C4'-P-C4' energy: -82.231
flat angles P-C4'-P energy: -54.355
tors. eta vs tors. theta energy: -111.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1170.717694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.717694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.717694 (E_RNA)
where:
Base-Base interactions energy: -808.775
where: short stacking energy: -317.240
Base-Backbone interact. energy: 3.511
local terms energy: -365.453658
where:
bonds (distance) C4'-P energy: -63.770
bonds (distance) P-C4' energy: -81.529
flat angles C4'-P-C4' energy: -84.869
flat angles P-C4'-P energy: -47.903
tors. eta vs tors. theta energy: -87.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1105.411102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.411102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.411102 (E_RNA)
where:
Base-Base interactions energy: -733.732
where: short stacking energy: -329.469
Base-Backbone interact. energy: -1.390
local terms energy: -370.289317
where:
bonds (distance) C4'-P energy: -75.274
bonds (distance) P-C4' energy: -66.544
flat angles C4'-P-C4' energy: -76.397
flat angles P-C4'-P energy: -56.722
tors. eta vs tors. theta energy: -95.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -891.962405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.962405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.962405 (E_RNA)
where:
Base-Base interactions energy: -569.235
where: short stacking energy: -259.146
Base-Backbone interact. energy: -1.098
local terms energy: -321.629083
where:
bonds (distance) C4'-P energy: -62.201
bonds (distance) P-C4' energy: -69.296
flat angles C4'-P-C4' energy: -74.758
flat angles P-C4'-P energy: -47.087
tors. eta vs tors. theta energy: -68.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -593.575143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.575143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.575143 (E_RNA)
where:
Base-Base interactions energy: -326.617
where: short stacking energy: -202.054
Base-Backbone interact. energy: -1.540
local terms energy: -265.418207
where:
bonds (distance) C4'-P energy: -72.693
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -61.822
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -41.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -425.891042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.891042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.891042 (E_RNA)
where:
Base-Base interactions energy: -187.196
where: short stacking energy: -115.802
Base-Backbone interact. energy: 0.548
local terms energy: -239.242201
where:
bonds (distance) C4'-P energy: -70.738
bonds (distance) P-C4' energy: -64.496
flat angles C4'-P-C4' energy: -61.215
flat angles P-C4'-P energy: -38.269
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -425.301393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.301393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.301393 (E_RNA)
where:
Base-Base interactions energy: -199.454
where: short stacking energy: -113.888
Base-Backbone interact. energy: 3.734
local terms energy: -229.581024
where:
bonds (distance) C4'-P energy: -60.536
bonds (distance) P-C4' energy: -81.627
flat angles C4'-P-C4' energy: -57.640
flat angles P-C4'-P energy: -35.937
tors. eta vs tors. theta energy: 6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1416.955010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.955010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.955010 (E_RNA)
where:
Base-Base interactions energy: -978.596
where: short stacking energy: -431.268
Base-Backbone interact. energy: -2.499
local terms energy: -435.860883
where:
bonds (distance) C4'-P energy: -72.184
bonds (distance) P-C4' energy: -87.100
flat angles C4'-P-C4' energy: -93.440
flat angles P-C4'-P energy: -50.636
tors. eta vs tors. theta energy: -132.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1358.592891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.592891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.592891 (E_RNA)
where:
Base-Base interactions energy: -924.432
where: short stacking energy: -366.603
Base-Backbone interact. energy: 0.228
local terms energy: -434.388516
where:
bonds (distance) C4'-P energy: -71.303
bonds (distance) P-C4' energy: -84.386
flat angles C4'-P-C4' energy: -87.689
flat angles P-C4'-P energy: -59.211
tors. eta vs tors. theta energy: -131.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1323.828578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.828578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.828578 (E_RNA)
where:
Base-Base interactions energy: -921.567
where: short stacking energy: -378.906
Base-Backbone interact. energy: -2.145
local terms energy: -400.116971
where:
bonds (distance) C4'-P energy: -75.982
bonds (distance) P-C4' energy: -66.275
flat angles C4'-P-C4' energy: -82.713
flat angles P-C4'-P energy: -54.361
tors. eta vs tors. theta energy: -120.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1237.554084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.554084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.554084 (E_RNA)
where:
Base-Base interactions energy: -871.761
where: short stacking energy: -351.219
Base-Backbone interact. energy: -2.012
local terms energy: -363.781004
where:
bonds (distance) C4'-P energy: -69.614
bonds (distance) P-C4' energy: -72.436
flat angles C4'-P-C4' energy: -66.617
flat angles P-C4'-P energy: -56.952
tors. eta vs tors. theta energy: -98.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1179.161529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.161529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.161529 (E_RNA)
where:
Base-Base interactions energy: -813.774
where: short stacking energy: -333.146
Base-Backbone interact. energy: -0.377
local terms energy: -365.009682
where:
bonds (distance) C4'-P energy: -66.266
bonds (distance) P-C4' energy: -77.990
flat angles C4'-P-C4' energy: -84.448
flat angles P-C4'-P energy: -44.204
tors. eta vs tors. theta energy: -92.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1078.632885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.632885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.632885 (E_RNA)
where:
Base-Base interactions energy: -717.956
where: short stacking energy: -311.037
Base-Backbone interact. energy: -0.912
local terms energy: -359.764877
where:
bonds (distance) C4'-P energy: -55.937
bonds (distance) P-C4' energy: -79.454
flat angles C4'-P-C4' energy: -75.871
flat angles P-C4'-P energy: -55.144
tors. eta vs tors. theta energy: -93.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -886.251051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.251051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.251051 (E_RNA)
where:
Base-Base interactions energy: -568.903
where: short stacking energy: -258.943
Base-Backbone interact. energy: -0.128
local terms energy: -317.220184
where:
bonds (distance) C4'-P energy: -69.649
bonds (distance) P-C4' energy: -58.606
flat angles C4'-P-C4' energy: -70.717
flat angles P-C4'-P energy: -45.498
tors. eta vs tors. theta energy: -72.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -561.514221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.514221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.514221 (E_RNA)
where:
Base-Base interactions energy: -300.822
where: short stacking energy: -174.474
Base-Backbone interact. energy: 6.830
local terms energy: -267.521890
where:
bonds (distance) C4'-P energy: -60.934
bonds (distance) P-C4' energy: -67.356
flat angles C4'-P-C4' energy: -76.858
flat angles P-C4'-P energy: -41.694
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -417.971191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.971191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.971191 (E_RNA)
where:
Base-Base interactions energy: -212.676
where: short stacking energy: -113.992
Base-Backbone interact. energy: -1.185
local terms energy: -204.110808
where:
bonds (distance) C4'-P energy: -68.517
bonds (distance) P-C4' energy: -53.974
flat angles C4'-P-C4' energy: -64.911
flat angles P-C4'-P energy: -31.705
tors. eta vs tors. theta energy: 14.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -390.954776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.954776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.954776 (E_RNA)
where:
Base-Base interactions energy: -168.200
where: short stacking energy: -120.018
Base-Backbone interact. energy: -1.033
local terms energy: -221.722697
where:
bonds (distance) C4'-P energy: -64.830
bonds (distance) P-C4' energy: -53.822
flat angles C4'-P-C4' energy: -60.222
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: 0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1413.287163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.287163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.287163 (E_RNA)
where:
Base-Base interactions energy: -982.932
where: short stacking energy: -425.617
Base-Backbone interact. energy: 1.793
local terms energy: -432.148595
where:
bonds (distance) C4'-P energy: -85.582
bonds (distance) P-C4' energy: -60.222
flat angles C4'-P-C4' energy: -91.330
flat angles P-C4'-P energy: -66.872
tors. eta vs tors. theta energy: -128.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1337.351777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.351777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.351777 (E_RNA)
where:
Base-Base interactions energy: -911.206
where: short stacking energy: -375.979
Base-Backbone interact. energy: -2.196
local terms energy: -423.949014
where:
bonds (distance) C4'-P energy: -74.922
bonds (distance) P-C4' energy: -84.197
flat angles C4'-P-C4' energy: -85.042
flat angles P-C4'-P energy: -61.793
tors. eta vs tors. theta energy: -117.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1303.200753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.200753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.200753 (E_RNA)
where:
Base-Base interactions energy: -895.586
where: short stacking energy: -380.168
Base-Backbone interact. energy: -1.337
local terms energy: -406.278062
where:
bonds (distance) C4'-P energy: -70.458
bonds (distance) P-C4' energy: -68.620
flat angles C4'-P-C4' energy: -91.975
flat angles P-C4'-P energy: -55.969
tors. eta vs tors. theta energy: -119.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1239.037952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.037952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.037952 (E_RNA)
where:
Base-Base interactions energy: -854.608
where: short stacking energy: -331.549
Base-Backbone interact. energy: -2.420
local terms energy: -382.009622
where:
bonds (distance) C4'-P energy: -67.463
bonds (distance) P-C4' energy: -74.590
flat angles C4'-P-C4' energy: -79.607
flat angles P-C4'-P energy: -51.997
tors. eta vs tors. theta energy: -108.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1173.723361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.723361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.723361 (E_RNA)
where:
Base-Base interactions energy: -807.699
where: short stacking energy: -335.354
Base-Backbone interact. energy: 1.043
local terms energy: -367.067560
where:
bonds (distance) C4'-P energy: -63.765
bonds (distance) P-C4' energy: -77.579
flat angles C4'-P-C4' energy: -71.482
flat angles P-C4'-P energy: -51.944
tors. eta vs tors. theta energy: -102.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1092.494047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.494047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.494047 (E_RNA)
where:
Base-Base interactions energy: -741.406
where: short stacking energy: -300.693
Base-Backbone interact. energy: -2.381
local terms energy: -348.707197
where:
bonds (distance) C4'-P energy: -70.413
bonds (distance) P-C4' energy: -64.654
flat angles C4'-P-C4' energy: -79.796
flat angles P-C4'-P energy: -45.665
tors. eta vs tors. theta energy: -88.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -909.635052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.635052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.635052 (E_RNA)
where:
Base-Base interactions energy: -582.864
where: short stacking energy: -267.536
Base-Backbone interact. energy: 3.778
local terms energy: -330.549021
where:
bonds (distance) C4'-P energy: -59.814
bonds (distance) P-C4' energy: -68.032
flat angles C4'-P-C4' energy: -72.693
flat angles P-C4'-P energy: -51.095
tors. eta vs tors. theta energy: -78.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -560.327963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.327963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.327963 (E_RNA)
where:
Base-Base interactions energy: -311.504
where: short stacking energy: -140.902
Base-Backbone interact. energy: -1.298
local terms energy: -247.526069
where:
bonds (distance) C4'-P energy: -55.291
bonds (distance) P-C4' energy: -76.906
flat angles C4'-P-C4' energy: -60.502
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -443.218605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.218605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.218605 (E_RNA)
where:
Base-Base interactions energy: -211.212
where: short stacking energy: -115.527
Base-Backbone interact. energy: 2.558
local terms energy: -234.564219
where:
bonds (distance) C4'-P energy: -63.540
bonds (distance) P-C4' energy: -68.088
flat angles C4'-P-C4' energy: -57.676
flat angles P-C4'-P energy: -38.102
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -335.031957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.031957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.031957 (E_RNA)
where:
Base-Base interactions energy: -101.261
where: short stacking energy: -89.909
Base-Backbone interact. energy: 0.357
local terms energy: -234.127945
where:
bonds (distance) C4'-P energy: -68.659
bonds (distance) P-C4' energy: -81.163
flat angles C4'-P-C4' energy: -54.396
flat angles P-C4'-P energy: -36.341
tors. eta vs tors. theta energy: 6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1414.126222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.126222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.126222 (E_RNA)
where:
Base-Base interactions energy: -964.959
where: short stacking energy: -408.390
Base-Backbone interact. energy: -2.901
local terms energy: -446.265719
where:
bonds (distance) C4'-P energy: -80.360
bonds (distance) P-C4' energy: -79.602
flat angles C4'-P-C4' energy: -93.831
flat angles P-C4'-P energy: -64.093
tors. eta vs tors. theta energy: -128.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1355.410568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.410568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.410568 (E_RNA)
where:
Base-Base interactions energy: -936.493
where: short stacking energy: -396.587
Base-Backbone interact. energy: 1.552
local terms energy: -420.468764
where:
bonds (distance) C4'-P energy: -81.110
bonds (distance) P-C4' energy: -68.647
flat angles C4'-P-C4' energy: -96.471
flat angles P-C4'-P energy: -51.606
tors. eta vs tors. theta energy: -122.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1305.915001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.915001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.915001 (E_RNA)
where:
Base-Base interactions energy: -885.452
where: short stacking energy: -357.241
Base-Backbone interact. energy: -2.327
local terms energy: -418.136684
where:
bonds (distance) C4'-P energy: -85.263
bonds (distance) P-C4' energy: -84.149
flat angles C4'-P-C4' energy: -83.636
flat angles P-C4'-P energy: -59.616
tors. eta vs tors. theta energy: -105.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1235.522696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.522696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.522696 (E_RNA)
where:
Base-Base interactions energy: -863.021
where: short stacking energy: -333.245
Base-Backbone interact. energy: -1.149
local terms energy: -371.352636
where:
bonds (distance) C4'-P energy: -74.758
bonds (distance) P-C4' energy: -76.817
flat angles C4'-P-C4' energy: -79.730
flat angles P-C4'-P energy: -58.164
tors. eta vs tors. theta energy: -81.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1194.664623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.664623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.664623 (E_RNA)
where:
Base-Base interactions energy: -807.693
where: short stacking energy: -345.296
Base-Backbone interact. energy: -1.041
local terms energy: -385.930463
where:
bonds (distance) C4'-P energy: -74.883
bonds (distance) P-C4' energy: -67.935
flat angles C4'-P-C4' energy: -76.740
flat angles P-C4'-P energy: -58.684
tors. eta vs tors. theta energy: -107.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1095.746809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.746809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.746809 (E_RNA)
where:
Base-Base interactions energy: -751.180
where: short stacking energy: -323.647
Base-Backbone interact. energy: -1.958
local terms energy: -342.608920
where:
bonds (distance) C4'-P energy: -60.391
bonds (distance) P-C4' energy: -59.874
flat angles C4'-P-C4' energy: -85.875
flat angles P-C4'-P energy: -37.638
tors. eta vs tors. theta energy: -98.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -884.106319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.106319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.106319 (E_RNA)
where:
Base-Base interactions energy: -570.261
where: short stacking energy: -245.523
Base-Backbone interact. energy: 0.353
local terms energy: -314.198457
where:
bonds (distance) C4'-P energy: -53.988
bonds (distance) P-C4' energy: -80.900
flat angles C4'-P-C4' energy: -67.298
flat angles P-C4'-P energy: -45.909
tors. eta vs tors. theta energy: -66.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -566.343459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.343459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.343459 (E_RNA)
where:
Base-Base interactions energy: -300.962
where: short stacking energy: -170.957
Base-Backbone interact. energy: -0.206
local terms energy: -265.175387
where:
bonds (distance) C4'-P energy: -73.015
bonds (distance) P-C4' energy: -71.881
flat angles C4'-P-C4' energy: -62.093
flat angles P-C4'-P energy: -33.871
tors. eta vs tors. theta energy: -24.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -536.602576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.602576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.602576 (E_RNA)
where:
Base-Base interactions energy: -276.183
where: short stacking energy: -134.934
Base-Backbone interact. energy: -0.748
local terms energy: -259.671144
where:
bonds (distance) C4'-P energy: -71.353
bonds (distance) P-C4' energy: -66.650
flat angles C4'-P-C4' energy: -53.052
flat angles P-C4'-P energy: -41.745
tors. eta vs tors. theta energy: -26.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -330.961203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.961203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.961203 (E_RNA)
where:
Base-Base interactions energy: -113.552
where: short stacking energy: -73.148
Base-Backbone interact. energy: 2.282
local terms energy: -219.690758
where:
bonds (distance) C4'-P energy: -66.186
bonds (distance) P-C4' energy: -66.145
flat angles C4'-P-C4' energy: -62.549
flat angles P-C4'-P energy: -34.789
tors. eta vs tors. theta energy: 9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1414.633817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.633817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.633817 (E_RNA)
where:
Base-Base interactions energy: -981.474
where: short stacking energy: -416.556
Base-Backbone interact. energy: -0.111
local terms energy: -433.048640
where:
bonds (distance) C4'-P energy: -79.516
bonds (distance) P-C4' energy: -85.315
flat angles C4'-P-C4' energy: -85.882
flat angles P-C4'-P energy: -54.533
tors. eta vs tors. theta energy: -127.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1344.586901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.586901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.586901 (E_RNA)
where:
Base-Base interactions energy: -924.702
where: short stacking energy: -371.246
Base-Backbone interact. energy: -2.716
local terms energy: -417.169066
where:
bonds (distance) C4'-P energy: -65.265
bonds (distance) P-C4' energy: -80.605
flat angles C4'-P-C4' energy: -93.329
flat angles P-C4'-P energy: -54.059
tors. eta vs tors. theta energy: -123.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1317.589821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.589821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.589821 (E_RNA)
where:
Base-Base interactions energy: -897.070
where: short stacking energy: -363.309
Base-Backbone interact. energy: -2.603
local terms energy: -417.917190
where:
bonds (distance) C4'-P energy: -80.557
bonds (distance) P-C4' energy: -70.932
flat angles C4'-P-C4' energy: -89.888
flat angles P-C4'-P energy: -57.452
tors. eta vs tors. theta energy: -119.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1187.150593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.150593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.150593 (E_RNA)
where:
Base-Base interactions energy: -822.800
where: short stacking energy: -321.368
Base-Backbone interact. energy: -0.935
local terms energy: -363.415426
where:
bonds (distance) C4'-P energy: -75.486
bonds (distance) P-C4' energy: -65.571
flat angles C4'-P-C4' energy: -89.994
flat angles P-C4'-P energy: -47.246
tors. eta vs tors. theta energy: -85.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1170.724376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.724376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.724376 (E_RNA)
where:
Base-Base interactions energy: -795.147
where: short stacking energy: -337.242
Base-Backbone interact. energy: -1.042
local terms energy: -374.534529
where:
bonds (distance) C4'-P energy: -76.943
bonds (distance) P-C4' energy: -59.879
flat angles C4'-P-C4' energy: -74.914
flat angles P-C4'-P energy: -52.941
tors. eta vs tors. theta energy: -109.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1058.154010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.154010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.154010 (E_RNA)
where:
Base-Base interactions energy: -703.049
where: short stacking energy: -288.843
Base-Backbone interact. energy: -0.629
local terms energy: -354.476141
where:
bonds (distance) C4'-P energy: -72.872
bonds (distance) P-C4' energy: -77.120
flat angles C4'-P-C4' energy: -78.505
flat angles P-C4'-P energy: -44.662
tors. eta vs tors. theta energy: -81.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -859.655937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.655937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.655937 (E_RNA)
where:
Base-Base interactions energy: -523.843
where: short stacking energy: -238.424
Base-Backbone interact. energy: -2.632
local terms energy: -333.181147
where:
bonds (distance) C4'-P energy: -68.586
bonds (distance) P-C4' energy: -72.032
flat angles C4'-P-C4' energy: -71.504
flat angles P-C4'-P energy: -58.444
tors. eta vs tors. theta energy: -62.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -561.231329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.231329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.231329 (E_RNA)
where:
Base-Base interactions energy: -323.261
where: short stacking energy: -180.340
Base-Backbone interact. energy: 5.382
local terms energy: -243.352062
where:
bonds (distance) C4'-P energy: -76.624
bonds (distance) P-C4' energy: -69.543
flat angles C4'-P-C4' energy: -56.938
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -505.771603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.771603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.771603 (E_RNA)
where:
Base-Base interactions energy: -277.489
where: short stacking energy: -143.789
Base-Backbone interact. energy: -2.478
local terms energy: -225.804461
where:
bonds (distance) C4'-P energy: -71.197
bonds (distance) P-C4' energy: -50.779
flat angles C4'-P-C4' energy: -54.111
flat angles P-C4'-P energy: -37.503
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -312.511152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.511152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.511152 (E_RNA)
where:
Base-Base interactions energy: -102.923
where: short stacking energy: -90.150
Base-Backbone interact. energy: -0.452
local terms energy: -209.136683
where:
bonds (distance) C4'-P energy: -64.518
bonds (distance) P-C4' energy: -61.821
flat angles C4'-P-C4' energy: -60.834
flat angles P-C4'-P energy: -32.685
tors. eta vs tors. theta energy: 10.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1417.410831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.410831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.410831 (E_RNA)
where:
Base-Base interactions energy: -967.003
where: short stacking energy: -396.711
Base-Backbone interact. energy: -0.411
local terms energy: -449.997516
where:
bonds (distance) C4'-P energy: -86.025
bonds (distance) P-C4' energy: -80.463
flat angles C4'-P-C4' energy: -94.812
flat angles P-C4'-P energy: -62.344
tors. eta vs tors. theta energy: -126.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1354.572848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.572848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.572848 (E_RNA)
where:
Base-Base interactions energy: -932.472
where: short stacking energy: -401.732
Base-Backbone interact. energy: -2.005
local terms energy: -420.095681
where:
bonds (distance) C4'-P energy: -78.804
bonds (distance) P-C4' energy: -63.637
flat angles C4'-P-C4' energy: -91.095
flat angles P-C4'-P energy: -60.761
tors. eta vs tors. theta energy: -125.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1314.859131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.859131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.859131 (E_RNA)
where:
Base-Base interactions energy: -897.913
where: short stacking energy: -362.147
Base-Backbone interact. energy: -1.821
local terms energy: -415.125076
where:
bonds (distance) C4'-P energy: -66.372
bonds (distance) P-C4' energy: -89.307
flat angles C4'-P-C4' energy: -86.211
flat angles P-C4'-P energy: -59.318
tors. eta vs tors. theta energy: -113.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1208.394812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.394812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.394812 (E_RNA)
where:
Base-Base interactions energy: -809.990
where: short stacking energy: -358.006
Base-Backbone interact. energy: -1.808
local terms energy: -396.596997
where:
bonds (distance) C4'-P energy: -82.974
bonds (distance) P-C4' energy: -70.178
flat angles C4'-P-C4' energy: -80.953
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: -119.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1145.961436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.961436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.961436 (E_RNA)
where:
Base-Base interactions energy: -798.518
where: short stacking energy: -319.435
Base-Backbone interact. energy: -0.555
local terms energy: -346.888341
where:
bonds (distance) C4'-P energy: -74.095
bonds (distance) P-C4' energy: -63.752
flat angles C4'-P-C4' energy: -72.079
flat angles P-C4'-P energy: -48.402
tors. eta vs tors. theta energy: -88.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1084.999548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.999548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.999548 (E_RNA)
where:
Base-Base interactions energy: -696.769
where: short stacking energy: -320.110
Base-Backbone interact. energy: -0.876
local terms energy: -387.354806
where:
bonds (distance) C4'-P energy: -76.345
bonds (distance) P-C4' energy: -72.316
flat angles C4'-P-C4' energy: -77.002
flat angles P-C4'-P energy: -67.111
tors. eta vs tors. theta energy: -94.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -915.936964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.936964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.936964 (E_RNA)
where:
Base-Base interactions energy: -585.591
where: short stacking energy: -277.610
Base-Backbone interact. energy: -3.056
local terms energy: -327.289719
where:
bonds (distance) C4'-P energy: -64.915
bonds (distance) P-C4' energy: -64.489
flat angles C4'-P-C4' energy: -75.173
flat angles P-C4'-P energy: -39.967
tors. eta vs tors. theta energy: -82.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -605.660001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.660001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.660001 (E_RNA)
where:
Base-Base interactions energy: -342.866
where: short stacking energy: -190.884
Base-Backbone interact. energy: -1.188
local terms energy: -261.606118
where:
bonds (distance) C4'-P energy: -67.199
bonds (distance) P-C4' energy: -65.079
flat angles C4'-P-C4' energy: -54.375
flat angles P-C4'-P energy: -45.211
tors. eta vs tors. theta energy: -29.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -444.972222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.972222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.972222 (E_RNA)
where:
Base-Base interactions energy: -214.603
where: short stacking energy: -115.729
Base-Backbone interact. energy: -3.754
local terms energy: -226.615638
where:
bonds (distance) C4'-P energy: -59.444
bonds (distance) P-C4' energy: -65.853
flat angles C4'-P-C4' energy: -51.074
flat angles P-C4'-P energy: -47.056
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -329.379468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.379468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.379468 (E_RNA)
where:
Base-Base interactions energy: -117.984
where: short stacking energy: -105.879
Base-Backbone interact. energy: 1.176
local terms energy: -212.572102
where:
bonds (distance) C4'-P energy: -67.540
bonds (distance) P-C4' energy: -70.625
flat angles C4'-P-C4' energy: -42.125
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1417.963162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.963162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.963162 (E_RNA)
where:
Base-Base interactions energy: -990.005
where: short stacking energy: -416.899
Base-Backbone interact. energy: -2.311
local terms energy: -425.647119
where:
bonds (distance) C4'-P energy: -75.171
bonds (distance) P-C4' energy: -78.087
flat angles C4'-P-C4' energy: -90.798
flat angles P-C4'-P energy: -58.677
tors. eta vs tors. theta energy: -122.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1337.623203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.623203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.623203 (E_RNA)
where:
Base-Base interactions energy: -912.945
where: short stacking energy: -391.269
Base-Backbone interact. energy: -2.189
local terms energy: -422.489440
where:
bonds (distance) C4'-P energy: -69.806
bonds (distance) P-C4' energy: -77.801
flat angles C4'-P-C4' energy: -88.816
flat angles P-C4'-P energy: -62.350
tors. eta vs tors. theta energy: -123.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1300.868419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.868419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.868419 (E_RNA)
where:
Base-Base interactions energy: -890.852
where: short stacking energy: -352.010
Base-Backbone interact. energy: -0.972
local terms energy: -409.044396
where:
bonds (distance) C4'-P energy: -75.274
bonds (distance) P-C4' energy: -76.091
flat angles C4'-P-C4' energy: -84.369
flat angles P-C4'-P energy: -53.538
tors. eta vs tors. theta energy: -119.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1223.526303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.526303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.526303 (E_RNA)
where:
Base-Base interactions energy: -816.970
where: short stacking energy: -361.024
Base-Backbone interact. energy: -1.019
local terms energy: -405.537231
where:
bonds (distance) C4'-P energy: -76.912
bonds (distance) P-C4' energy: -80.289
flat angles C4'-P-C4' energy: -81.284
flat angles P-C4'-P energy: -55.321
tors. eta vs tors. theta energy: -111.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1151.712470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.712470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.712470 (E_RNA)
where:
Base-Base interactions energy: -789.267
where: short stacking energy: -321.166
Base-Backbone interact. energy: -3.316
local terms energy: -359.129538
where:
bonds (distance) C4'-P energy: -69.134
bonds (distance) P-C4' energy: -81.536
flat angles C4'-P-C4' energy: -65.747
flat angles P-C4'-P energy: -50.980
tors. eta vs tors. theta energy: -91.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1105.678519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.678519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.678519 (E_RNA)
where:
Base-Base interactions energy: -760.331
where: short stacking energy: -310.391
Base-Backbone interact. energy: -0.191
local terms energy: -345.155711
where:
bonds (distance) C4'-P energy: -72.789
bonds (distance) P-C4' energy: -61.186
flat angles C4'-P-C4' energy: -81.668
flat angles P-C4'-P energy: -40.373
tors. eta vs tors. theta energy: -89.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -897.933312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.933312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.933312 (E_RNA)
where:
Base-Base interactions energy: -568.748
where: short stacking energy: -261.032
Base-Backbone interact. energy: 0.093
local terms energy: -329.278784
where:
bonds (distance) C4'-P energy: -68.663
bonds (distance) P-C4' energy: -73.017
flat angles C4'-P-C4' energy: -73.662
flat angles P-C4'-P energy: -45.256
tors. eta vs tors. theta energy: -68.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -612.485910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.485910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.485910 (E_RNA)
where:
Base-Base interactions energy: -337.055
where: short stacking energy: -148.699
Base-Backbone interact. energy: -3.481
local terms energy: -271.949627
where:
bonds (distance) C4'-P energy: -68.156
bonds (distance) P-C4' energy: -78.316
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -46.688
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -404.603626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.603626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.603626 (E_RNA)
where:
Base-Base interactions energy: -209.284
where: short stacking energy: -108.160
Base-Backbone interact. energy: 5.427
local terms energy: -200.747013
where:
bonds (distance) C4'-P energy: -61.536
bonds (distance) P-C4' energy: -51.863
flat angles C4'-P-C4' energy: -56.694
flat angles P-C4'-P energy: -36.599
tors. eta vs tors. theta energy: 5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -340.177549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.177549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.177549 (E_RNA)
where:
Base-Base interactions energy: -118.602
where: short stacking energy: -82.229
Base-Backbone interact. energy: -0.891
local terms energy: -220.684661
where:
bonds (distance) C4'-P energy: -70.024
bonds (distance) P-C4' energy: -79.929
flat angles C4'-P-C4' energy: -58.813
flat angles P-C4'-P energy: -25.567
tors. eta vs tors. theta energy: 13.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1404.511901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.511901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.511901 (E_RNA)
where:
Base-Base interactions energy: -948.688
where: short stacking energy: -374.206
Base-Backbone interact. energy: -3.081
local terms energy: -452.742509
where:
bonds (distance) C4'-P energy: -82.898
bonds (distance) P-C4' energy: -82.306
flat angles C4'-P-C4' energy: -94.033
flat angles P-C4'-P energy: -72.542
tors. eta vs tors. theta energy: -120.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1361.805778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.805778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.805778 (E_RNA)
where:
Base-Base interactions energy: -936.469
where: short stacking energy: -392.193
Base-Backbone interact. energy: -3.143
local terms energy: -422.194222
where:
bonds (distance) C4'-P energy: -74.439
bonds (distance) P-C4' energy: -70.816
flat angles C4'-P-C4' energy: -88.493
flat angles P-C4'-P energy: -62.192
tors. eta vs tors. theta energy: -126.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1313.150771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.150771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.150771 (E_RNA)
where:
Base-Base interactions energy: -910.007
where: short stacking energy: -347.059
Base-Backbone interact. energy: -1.613
local terms energy: -401.530477
where:
bonds (distance) C4'-P energy: -80.071
bonds (distance) P-C4' energy: -73.222
flat angles C4'-P-C4' energy: -74.686
flat angles P-C4'-P energy: -61.361
tors. eta vs tors. theta energy: -112.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1175.927533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.927533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.927533 (E_RNA)
where:
Base-Base interactions energy: -809.499
where: short stacking energy: -349.141
Base-Backbone interact. energy: 2.146
local terms energy: -368.574539
where:
bonds (distance) C4'-P energy: -66.688
bonds (distance) P-C4' energy: -69.350
flat angles C4'-P-C4' energy: -82.646
flat angles P-C4'-P energy: -47.382
tors. eta vs tors. theta energy: -102.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1129.717807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.717807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.717807 (E_RNA)
where:
Base-Base interactions energy: -771.119
where: short stacking energy: -294.503
Base-Backbone interact. energy: -3.074
local terms energy: -355.524763
where:
bonds (distance) C4'-P energy: -67.494
bonds (distance) P-C4' energy: -68.942
flat angles C4'-P-C4' energy: -81.294
flat angles P-C4'-P energy: -58.016
tors. eta vs tors. theta energy: -79.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1127.678242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.678242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.678242 (E_RNA)
where:
Base-Base interactions energy: -750.165
where: short stacking energy: -312.353
Base-Backbone interact. energy: -2.429
local terms energy: -375.083704
where:
bonds (distance) C4'-P energy: -70.620
bonds (distance) P-C4' energy: -69.407
flat angles C4'-P-C4' energy: -77.668
flat angles P-C4'-P energy: -47.046
tors. eta vs tors. theta energy: -110.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -877.635389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.635389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.635389 (E_RNA)
where:
Base-Base interactions energy: -563.584
where: short stacking energy: -260.144
Base-Backbone interact. energy: 0.131
local terms energy: -314.181611
where:
bonds (distance) C4'-P energy: -62.865
bonds (distance) P-C4' energy: -76.870
flat angles C4'-P-C4' energy: -69.053
flat angles P-C4'-P energy: -41.361
tors. eta vs tors. theta energy: -64.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -620.993550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.993550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.993550 (E_RNA)
where:
Base-Base interactions energy: -359.290
where: short stacking energy: -171.643
Base-Backbone interact. energy: -1.265
local terms energy: -260.438274
where:
bonds (distance) C4'-P energy: -65.630
bonds (distance) P-C4' energy: -62.868
flat angles C4'-P-C4' energy: -72.170
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -36.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -425.320984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.320984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.320984 (E_RNA)
where:
Base-Base interactions energy: -220.053
where: short stacking energy: -117.481
Base-Backbone interact. energy: 0.471
local terms energy: -205.739014
where:
bonds (distance) C4'-P energy: -56.616
bonds (distance) P-C4' energy: -73.189
flat angles C4'-P-C4' energy: -50.504
flat angles P-C4'-P energy: -39.607
tors. eta vs tors. theta energy: 14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -378.832078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.832078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.832078 (E_RNA)
where:
Base-Base interactions energy: -156.047
where: short stacking energy: -110.847
Base-Backbone interact. energy: -1.315
local terms energy: -221.470683
where:
bonds (distance) C4'-P energy: -68.018
bonds (distance) P-C4' energy: -73.599
flat angles C4'-P-C4' energy: -53.346
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: 6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1407.167560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.167560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.167560 (E_RNA)
where:
Base-Base interactions energy: -965.893
where: short stacking energy: -396.799
Base-Backbone interact. energy: -2.598
local terms energy: -438.675685
where:
bonds (distance) C4'-P energy: -83.258
bonds (distance) P-C4' energy: -80.211
flat angles C4'-P-C4' energy: -91.091
flat angles P-C4'-P energy: -65.314
tors. eta vs tors. theta energy: -118.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1348.519915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.519915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.519915 (E_RNA)
where:
Base-Base interactions energy: -920.958
where: short stacking energy: -376.715
Base-Backbone interact. energy: -1.682
local terms energy: -425.880575
where:
bonds (distance) C4'-P energy: -71.347
bonds (distance) P-C4' energy: -82.518
flat angles C4'-P-C4' energy: -90.716
flat angles P-C4'-P energy: -58.618
tors. eta vs tors. theta energy: -122.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1317.963141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.963141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.963141 (E_RNA)
where:
Base-Base interactions energy: -898.466
where: short stacking energy: -356.984
Base-Backbone interact. energy: -3.647
local terms energy: -415.849671
where:
bonds (distance) C4'-P energy: -79.344
bonds (distance) P-C4' energy: -77.841
flat angles C4'-P-C4' energy: -94.288
flat angles P-C4'-P energy: -53.472
tors. eta vs tors. theta energy: -110.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1229.145547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.145547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.145547 (E_RNA)
where:
Base-Base interactions energy: -824.008
where: short stacking energy: -388.921
Base-Backbone interact. energy: -0.193
local terms energy: -404.943758
where:
bonds (distance) C4'-P energy: -81.937
bonds (distance) P-C4' energy: -81.057
flat angles C4'-P-C4' energy: -80.752
flat angles P-C4'-P energy: -52.814
tors. eta vs tors. theta energy: -108.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1149.193008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.193008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.193008 (E_RNA)
where:
Base-Base interactions energy: -783.254
where: short stacking energy: -327.030
Base-Backbone interact. energy: -2.706
local terms energy: -363.233212
where:
bonds (distance) C4'-P energy: -58.687
bonds (distance) P-C4' energy: -72.725
flat angles C4'-P-C4' energy: -80.939
flat angles P-C4'-P energy: -48.620
tors. eta vs tors. theta energy: -102.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1110.704500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.704500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.704500 (E_RNA)
where:
Base-Base interactions energy: -759.989
where: short stacking energy: -314.710
Base-Backbone interact. energy: -2.496
local terms energy: -348.219397
where:
bonds (distance) C4'-P energy: -76.050
bonds (distance) P-C4' energy: -67.279
flat angles C4'-P-C4' energy: -74.178
flat angles P-C4'-P energy: -47.340
tors. eta vs tors. theta energy: -83.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -874.111870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.111870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.111870 (E_RNA)
where:
Base-Base interactions energy: -557.327
where: short stacking energy: -263.818
Base-Backbone interact. energy: -3.033
local terms energy: -313.752158
where:
bonds (distance) C4'-P energy: -61.614
bonds (distance) P-C4' energy: -67.267
flat angles C4'-P-C4' energy: -72.220
flat angles P-C4'-P energy: -49.847
tors. eta vs tors. theta energy: -62.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -568.307998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.307998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.307998 (E_RNA)
where:
Base-Base interactions energy: -314.615
where: short stacking energy: -170.248
Base-Backbone interact. energy: -1.985
local terms energy: -251.707254
where:
bonds (distance) C4'-P energy: -61.572
bonds (distance) P-C4' energy: -73.720
flat angles C4'-P-C4' energy: -65.153
flat angles P-C4'-P energy: -32.466
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -399.786706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.786706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.786706 (E_RNA)
where:
Base-Base interactions energy: -169.228
where: short stacking energy: -113.262
Base-Backbone interact. energy: -2.209
local terms energy: -228.349761
where:
bonds (distance) C4'-P energy: -64.669
bonds (distance) P-C4' energy: -79.022
flat angles C4'-P-C4' energy: -48.192
flat angles P-C4'-P energy: -41.702
tors. eta vs tors. theta energy: 5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -418.273211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.273211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.273211 (E_RNA)
where:
Base-Base interactions energy: -229.344
where: short stacking energy: -121.062
Base-Backbone interact. energy: -3.409
local terms energy: -185.520113
where:
bonds (distance) C4'-P energy: -61.381
bonds (distance) P-C4' energy: -55.349
flat angles C4'-P-C4' energy: -51.020
flat angles P-C4'-P energy: -31.069
tors. eta vs tors. theta energy: 13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1401.358207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.358207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.358207 (E_RNA)
where:
Base-Base interactions energy: -958.721
where: short stacking energy: -397.281
Base-Backbone interact. energy: -1.106
local terms energy: -441.531404
where:
bonds (distance) C4'-P energy: -76.464
bonds (distance) P-C4' energy: -75.889
flat angles C4'-P-C4' energy: -97.911
flat angles P-C4'-P energy: -65.539
tors. eta vs tors. theta energy: -125.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1375.966997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.966997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.966997 (E_RNA)
where:
Base-Base interactions energy: -940.037
where: short stacking energy: -383.734
Base-Backbone interact. energy: -2.051
local terms energy: -433.879311
where:
bonds (distance) C4'-P energy: -79.600
bonds (distance) P-C4' energy: -83.737
flat angles C4'-P-C4' energy: -90.169
flat angles P-C4'-P energy: -60.494
tors. eta vs tors. theta energy: -119.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1314.054534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.054534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.054534 (E_RNA)
where:
Base-Base interactions energy: -885.937
where: short stacking energy: -368.685
Base-Backbone interact. energy: -2.334
local terms energy: -425.783648
where:
bonds (distance) C4'-P energy: -78.228
bonds (distance) P-C4' energy: -83.839
flat angles C4'-P-C4' energy: -91.846
flat angles P-C4'-P energy: -62.547
tors. eta vs tors. theta energy: -109.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1197.527158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.527158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.527158 (E_RNA)
where:
Base-Base interactions energy: -799.873
where: short stacking energy: -354.237
Base-Backbone interact. energy: -1.714
local terms energy: -395.939329
where:
bonds (distance) C4'-P energy: -65.945
bonds (distance) P-C4' energy: -77.812
flat angles C4'-P-C4' energy: -87.703
flat angles P-C4'-P energy: -54.119
tors. eta vs tors. theta energy: -110.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1153.853854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.853854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.853854 (E_RNA)
where:
Base-Base interactions energy: -794.307
where: short stacking energy: -346.824
Base-Backbone interact. energy: -1.081
local terms energy: -358.465639
where:
bonds (distance) C4'-P energy: -58.349
bonds (distance) P-C4' energy: -65.016
flat angles C4'-P-C4' energy: -88.160
flat angles P-C4'-P energy: -44.241
tors. eta vs tors. theta energy: -102.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1064.564775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.564775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.564775 (E_RNA)
where:
Base-Base interactions energy: -707.965
where: short stacking energy: -276.060
Base-Backbone interact. energy: -3.335
local terms energy: -353.264559
where:
bonds (distance) C4'-P energy: -65.658
bonds (distance) P-C4' energy: -75.212
flat angles C4'-P-C4' energy: -84.663
flat angles P-C4'-P energy: -47.862
tors. eta vs tors. theta energy: -79.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -862.194187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.194187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.194187 (E_RNA)
where:
Base-Base interactions energy: -542.346
where: short stacking energy: -253.522
Base-Backbone interact. energy: 0.199
local terms energy: -320.047567
where:
bonds (distance) C4'-P energy: -64.771
bonds (distance) P-C4' energy: -68.530
flat angles C4'-P-C4' energy: -83.533
flat angles P-C4'-P energy: -39.373
tors. eta vs tors. theta energy: -63.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -577.779083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.779083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.779083 (E_RNA)
where:
Base-Base interactions energy: -332.696
where: short stacking energy: -177.265
Base-Backbone interact. energy: -1.541
local terms energy: -243.541744
where:
bonds (distance) C4'-P energy: -59.550
bonds (distance) P-C4' energy: -67.552
flat angles C4'-P-C4' energy: -58.919
flat angles P-C4'-P energy: -33.229
tors. eta vs tors. theta energy: -24.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -405.126235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.126235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.126235 (E_RNA)
where:
Base-Base interactions energy: -170.952
where: short stacking energy: -111.865
Base-Backbone interact. energy: -0.851
local terms energy: -233.323858
where:
bonds (distance) C4'-P energy: -67.119
bonds (distance) P-C4' energy: -75.984
flat angles C4'-P-C4' energy: -46.658
flat angles P-C4'-P energy: -46.017
tors. eta vs tors. theta energy: 2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -393.509012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.509012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.509012 (E_RNA)
where:
Base-Base interactions energy: -169.848
where: short stacking energy: -100.174
Base-Backbone interact. energy: -1.969
local terms energy: -221.692375
where:
bonds (distance) C4'-P energy: -65.516
bonds (distance) P-C4' energy: -77.935
flat angles C4'-P-C4' energy: -51.728
flat angles P-C4'-P energy: -30.710
tors. eta vs tors. theta energy: 4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1403.739271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.739271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.739271 (E_RNA)
where:
Base-Base interactions energy: -975.460
where: short stacking energy: -400.374
Base-Backbone interact. energy: -0.970
local terms energy: -427.309160
where:
bonds (distance) C4'-P energy: -72.859
bonds (distance) P-C4' energy: -81.263
flat angles C4'-P-C4' energy: -92.765
flat angles P-C4'-P energy: -57.522
tors. eta vs tors. theta energy: -122.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1375.978706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.978706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.978706 (E_RNA)
where:
Base-Base interactions energy: -939.935
where: short stacking energy: -382.495
Base-Backbone interact. energy: -1.618
local terms energy: -434.425533
where:
bonds (distance) C4'-P energy: -87.090
bonds (distance) P-C4' energy: -75.695
flat angles C4'-P-C4' energy: -92.938
flat angles P-C4'-P energy: -54.383
tors. eta vs tors. theta energy: -124.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1303.129881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.129881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.129881 (E_RNA)
where:
Base-Base interactions energy: -893.008
where: short stacking energy: -359.889
Base-Backbone interact. energy: -3.722
local terms energy: -406.399723
where:
bonds (distance) C4'-P energy: -79.212
bonds (distance) P-C4' energy: -77.478
flat angles C4'-P-C4' energy: -82.354
flat angles P-C4'-P energy: -55.429
tors. eta vs tors. theta energy: -111.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1205.592493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.592493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.592493 (E_RNA)
where:
Base-Base interactions energy: -796.710
where: short stacking energy: -343.411
Base-Backbone interact. energy: -0.222
local terms energy: -408.660638
where:
bonds (distance) C4'-P energy: -79.561
bonds (distance) P-C4' energy: -83.760
flat angles C4'-P-C4' energy: -80.764
flat angles P-C4'-P energy: -57.782
tors. eta vs tors. theta energy: -106.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1157.330029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.330029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.330029 (E_RNA)
where:
Base-Base interactions energy: -779.222
where: short stacking energy: -337.597
Base-Backbone interact. energy: -1.977
local terms energy: -376.131086
where:
bonds (distance) C4'-P energy: -75.512
bonds (distance) P-C4' energy: -66.934
flat angles C4'-P-C4' energy: -81.266
flat angles P-C4'-P energy: -49.935
tors. eta vs tors. theta energy: -102.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1084.611359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.611359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.611359 (E_RNA)
where:
Base-Base interactions energy: -741.148
where: short stacking energy: -302.413
Base-Backbone interact. energy: -1.672
local terms energy: -341.791503
where:
bonds (distance) C4'-P energy: -76.084
bonds (distance) P-C4' energy: -74.873
flat angles C4'-P-C4' energy: -66.512
flat angles P-C4'-P energy: -46.104
tors. eta vs tors. theta energy: -78.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -894.858715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.858715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.858715 (E_RNA)
where:
Base-Base interactions energy: -582.191
where: short stacking energy: -274.436
Base-Backbone interact. energy: 3.907
local terms energy: -316.574766
where:
bonds (distance) C4'-P energy: -58.407
bonds (distance) P-C4' energy: -65.391
flat angles C4'-P-C4' energy: -78.648
flat angles P-C4'-P energy: -52.428
tors. eta vs tors. theta energy: -61.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -529.447442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.447442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.447442 (E_RNA)
where:
Base-Base interactions energy: -264.146
where: short stacking energy: -141.830
Base-Backbone interact. energy: -3.615
local terms energy: -261.686054
where:
bonds (distance) C4'-P energy: -71.791
bonds (distance) P-C4' energy: -77.088
flat angles C4'-P-C4' energy: -63.994
flat angles P-C4'-P energy: -44.150
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -422.415744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.415744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.415744 (E_RNA)
where:
Base-Base interactions energy: -191.391
where: short stacking energy: -98.790
Base-Backbone interact. energy: 3.669
local terms energy: -234.693077
where:
bonds (distance) C4'-P energy: -56.325
bonds (distance) P-C4' energy: -72.532
flat angles C4'-P-C4' energy: -56.844
flat angles P-C4'-P energy: -47.546
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -385.375837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.375837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.375837 (E_RNA)
where:
Base-Base interactions energy: -166.564
where: short stacking energy: -96.960
Base-Backbone interact. energy: -1.745
local terms energy: -217.067058
where:
bonds (distance) C4'-P energy: -63.259
bonds (distance) P-C4' energy: -45.817
flat angles C4'-P-C4' energy: -75.153
flat angles P-C4'-P energy: -30.281
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1408.773082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.773082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.773082 (E_RNA)
where:
Base-Base interactions energy: -986.602
where: short stacking energy: -414.536
Base-Backbone interact. energy: 0.671
local terms energy: -422.841921
where:
bonds (distance) C4'-P energy: -71.592
bonds (distance) P-C4' energy: -75.585
flat angles C4'-P-C4' energy: -87.864
flat angles P-C4'-P energy: -67.108
tors. eta vs tors. theta energy: -120.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1352.896678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.896678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.896678 (E_RNA)
where:
Base-Base interactions energy: -944.346
where: short stacking energy: -383.369
Base-Backbone interact. energy: -2.236
local terms energy: -406.315290
where:
bonds (distance) C4'-P energy: -74.168
bonds (distance) P-C4' energy: -81.617
flat angles C4'-P-C4' energy: -83.518
flat angles P-C4'-P energy: -46.081
tors. eta vs tors. theta energy: -120.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1313.332513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.332513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.332513 (E_RNA)
where:
Base-Base interactions energy: -908.096
where: short stacking energy: -363.099
Base-Backbone interact. energy: 1.945
local terms energy: -407.181754
where:
bonds (distance) C4'-P energy: -61.114
bonds (distance) P-C4' energy: -72.211
flat angles C4'-P-C4' energy: -94.962
flat angles P-C4'-P energy: -65.050
tors. eta vs tors. theta energy: -113.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1213.921265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.921265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.921265 (E_RNA)
where:
Base-Base interactions energy: -806.239
where: short stacking energy: -357.377
Base-Backbone interact. energy: -1.019
local terms energy: -406.663122
where:
bonds (distance) C4'-P energy: -72.343
bonds (distance) P-C4' energy: -82.058
flat angles C4'-P-C4' energy: -85.246
flat angles P-C4'-P energy: -50.471
tors. eta vs tors. theta energy: -116.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1188.620943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.620943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.620943 (E_RNA)
where:
Base-Base interactions energy: -804.542
where: short stacking energy: -329.845
Base-Backbone interact. energy: 0.442
local terms energy: -384.521304
where:
bonds (distance) C4'-P energy: -69.385
bonds (distance) P-C4' energy: -70.753
flat angles C4'-P-C4' energy: -82.165
flat angles P-C4'-P energy: -47.843
tors. eta vs tors. theta energy: -114.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1048.995394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.995394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.995394 (E_RNA)
where:
Base-Base interactions energy: -729.217
where: short stacking energy: -287.962
Base-Backbone interact. energy: 2.462
local terms energy: -322.240015
where:
bonds (distance) C4'-P energy: -62.818
bonds (distance) P-C4' energy: -62.804
flat angles C4'-P-C4' energy: -87.076
flat angles P-C4'-P energy: -39.870
tors. eta vs tors. theta energy: -69.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -907.953507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.953507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.953507 (E_RNA)
where:
Base-Base interactions energy: -583.764
where: short stacking energy: -268.845
Base-Backbone interact. energy: -1.824
local terms energy: -322.365502
where:
bonds (distance) C4'-P energy: -58.238
bonds (distance) P-C4' energy: -57.432
flat angles C4'-P-C4' energy: -82.035
flat angles P-C4'-P energy: -47.262
tors. eta vs tors. theta energy: -77.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -564.501531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.501531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.501531 (E_RNA)
where:
Base-Base interactions energy: -330.300
where: short stacking energy: -160.331
Base-Backbone interact. energy: -0.758
local terms energy: -233.443921
where:
bonds (distance) C4'-P energy: -49.540
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -64.597
flat angles P-C4'-P energy: -36.605
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -427.240317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.240317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.240317 (E_RNA)
where:
Base-Base interactions energy: -177.523
where: short stacking energy: -95.275
Base-Backbone interact. energy: -1.667
local terms energy: -248.049938
where:
bonds (distance) C4'-P energy: -70.725
bonds (distance) P-C4' energy: -81.030
flat angles C4'-P-C4' energy: -64.548
flat angles P-C4'-P energy: -31.490
tors. eta vs tors. theta energy: -0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -407.625134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.625134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.625134 (E_RNA)
where:
Base-Base interactions energy: -185.004
where: short stacking energy: -128.651
Base-Backbone interact. energy: 0.804
local terms energy: -223.425154
where:
bonds (distance) C4'-P energy: -63.525
bonds (distance) P-C4' energy: -72.395
flat angles C4'-P-C4' energy: -61.976
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1411.543588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.543588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.543588 (E_RNA)
where:
Base-Base interactions energy: -964.636
where: short stacking energy: -414.054
Base-Backbone interact. energy: -1.857
local terms energy: -445.049942
where:
bonds (distance) C4'-P energy: -84.887
bonds (distance) P-C4' energy: -74.955
flat angles C4'-P-C4' energy: -96.426
flat angles P-C4'-P energy: -60.746
tors. eta vs tors. theta energy: -128.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1351.726077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.726077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.726077 (E_RNA)
where:
Base-Base interactions energy: -926.573
where: short stacking energy: -380.034
Base-Backbone interact. energy: 0.635
local terms energy: -425.788628
where:
bonds (distance) C4'-P energy: -78.305
bonds (distance) P-C4' energy: -76.496
flat angles C4'-P-C4' energy: -92.329
flat angles P-C4'-P energy: -57.622
tors. eta vs tors. theta energy: -121.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1326.494538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.494538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.494538 (E_RNA)
where:
Base-Base interactions energy: -916.859
where: short stacking energy: -363.113
Base-Backbone interact. energy: 0.525
local terms energy: -410.160489
where:
bonds (distance) C4'-P energy: -77.377
bonds (distance) P-C4' energy: -76.528
flat angles C4'-P-C4' energy: -85.059
flat angles P-C4'-P energy: -60.143
tors. eta vs tors. theta energy: -111.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1201.178829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.178829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.178829 (E_RNA)
where:
Base-Base interactions energy: -818.218
where: short stacking energy: -348.813
Base-Backbone interact. energy: -0.568
local terms energy: -382.392146
where:
bonds (distance) C4'-P energy: -60.996
bonds (distance) P-C4' energy: -71.142
flat angles C4'-P-C4' energy: -90.457
flat angles P-C4'-P energy: -59.333
tors. eta vs tors. theta energy: -100.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1183.514574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.514574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.514574 (E_RNA)
where:
Base-Base interactions energy: -800.530
where: short stacking energy: -349.948
Base-Backbone interact. energy: -0.708
local terms energy: -382.276402
where:
bonds (distance) C4'-P energy: -68.564
bonds (distance) P-C4' energy: -76.482
flat angles C4'-P-C4' energy: -84.103
flat angles P-C4'-P energy: -44.333
tors. eta vs tors. theta energy: -108.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1025.798606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.798606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.798606 (E_RNA)
where:
Base-Base interactions energy: -697.191
where: short stacking energy: -278.992
Base-Backbone interact. energy: -2.044
local terms energy: -326.563359
where:
bonds (distance) C4'-P energy: -62.037
bonds (distance) P-C4' energy: -73.882
flat angles C4'-P-C4' energy: -77.426
flat angles P-C4'-P energy: -45.146
tors. eta vs tors. theta energy: -68.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -871.924845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.924845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.924845 (E_RNA)
where:
Base-Base interactions energy: -553.253
where: short stacking energy: -245.157
Base-Backbone interact. energy: 0.290
local terms energy: -318.961157
where:
bonds (distance) C4'-P energy: -68.242
bonds (distance) P-C4' energy: -69.213
flat angles C4'-P-C4' energy: -75.026
flat angles P-C4'-P energy: -40.071
tors. eta vs tors. theta energy: -66.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -571.481747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.481747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.481747 (E_RNA)
where:
Base-Base interactions energy: -308.137
where: short stacking energy: -144.761
Base-Backbone interact. energy: -1.168
local terms energy: -262.176786
where:
bonds (distance) C4'-P energy: -63.800
bonds (distance) P-C4' energy: -81.608
flat angles C4'-P-C4' energy: -69.856
flat angles P-C4'-P energy: -51.733
tors. eta vs tors. theta energy: 4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -428.396371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.396371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.396371 (E_RNA)
where:
Base-Base interactions energy: -183.935
where: short stacking energy: -116.754
Base-Backbone interact. energy: 0.849
local terms energy: -245.309618
where:
bonds (distance) C4'-P energy: -67.376
bonds (distance) P-C4' energy: -77.751
flat angles C4'-P-C4' energy: -50.627
flat angles P-C4'-P energy: -48.498
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -401.009659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.009659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.009659 (E_RNA)
where:
Base-Base interactions energy: -176.827
where: short stacking energy: -78.003
Base-Backbone interact. energy: -2.705
local terms energy: -221.477723
where:
bonds (distance) C4'-P energy: -78.160
bonds (distance) P-C4' energy: -71.887
flat angles C4'-P-C4' energy: -66.723
flat angles P-C4'-P energy: -28.422
tors. eta vs tors. theta energy: 23.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1416.050717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.050717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.050717 (E_RNA)
where:
Base-Base interactions energy: -970.819
where: short stacking energy: -416.397
Base-Backbone interact. energy: -0.213
local terms energy: -445.019549
where:
bonds (distance) C4'-P energy: -81.416
bonds (distance) P-C4' energy: -82.624
flat angles C4'-P-C4' energy: -95.779
flat angles P-C4'-P energy: -57.559
tors. eta vs tors. theta energy: -127.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1337.282000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.282000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.282000 (E_RNA)
where:
Base-Base interactions energy: -923.894
where: short stacking energy: -387.876
Base-Backbone interact. energy: -1.227
local terms energy: -412.160779
where:
bonds (distance) C4'-P energy: -79.167
bonds (distance) P-C4' energy: -72.786
flat angles C4'-P-C4' energy: -77.254
flat angles P-C4'-P energy: -53.143
tors. eta vs tors. theta energy: -129.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1330.922308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.922308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.922308 (E_RNA)
where:
Base-Base interactions energy: -933.817
where: short stacking energy: -372.160
Base-Backbone interact. energy: 4.123
local terms energy: -401.227842
where:
bonds (distance) C4'-P energy: -73.600
bonds (distance) P-C4' energy: -82.700
flat angles C4'-P-C4' energy: -79.506
flat angles P-C4'-P energy: -45.436
tors. eta vs tors. theta energy: -119.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1229.435793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.435793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.435793 (E_RNA)
where:
Base-Base interactions energy: -831.383
where: short stacking energy: -362.463
Base-Backbone interact. energy: 0.956
local terms energy: -399.008203
where:
bonds (distance) C4'-P energy: -73.166
bonds (distance) P-C4' energy: -72.828
flat angles C4'-P-C4' energy: -88.642
flat angles P-C4'-P energy: -62.962
tors. eta vs tors. theta energy: -101.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1183.704707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.704707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.704707 (E_RNA)
where:
Base-Base interactions energy: -794.656
where: short stacking energy: -348.111
Base-Backbone interact. energy: -1.348
local terms energy: -387.701050
where:
bonds (distance) C4'-P energy: -72.051
bonds (distance) P-C4' energy: -68.388
flat angles C4'-P-C4' energy: -76.772
flat angles P-C4'-P energy: -60.389
tors. eta vs tors. theta energy: -110.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1039.811299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.811299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.811299 (E_RNA)
where:
Base-Base interactions energy: -717.895
where: short stacking energy: -288.838
Base-Backbone interact. energy: -1.473
local terms energy: -320.442917
where:
bonds (distance) C4'-P energy: -75.350
bonds (distance) P-C4' energy: -65.777
flat angles C4'-P-C4' energy: -74.985
flat angles P-C4'-P energy: -31.892
tors. eta vs tors. theta energy: -72.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -853.452809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.452809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.452809 (E_RNA)
where:
Base-Base interactions energy: -533.391
where: short stacking energy: -233.557
Base-Backbone interact. energy: -1.781
local terms energy: -318.280314
where:
bonds (distance) C4'-P energy: -64.071
bonds (distance) P-C4' energy: -71.255
flat angles C4'-P-C4' energy: -76.804
flat angles P-C4'-P energy: -53.031
tors. eta vs tors. theta energy: -53.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -549.370986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.370986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.370986 (E_RNA)
where:
Base-Base interactions energy: -303.359
where: short stacking energy: -148.853
Base-Backbone interact. energy: 0.020
local terms energy: -246.032110
where:
bonds (distance) C4'-P energy: -58.841
bonds (distance) P-C4' energy: -65.416
flat angles C4'-P-C4' energy: -68.955
flat angles P-C4'-P energy: -26.827
tors. eta vs tors. theta energy: -25.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -420.051757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.051757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.051757 (E_RNA)
where:
Base-Base interactions energy: -214.944
where: short stacking energy: -126.693
Base-Backbone interact. energy: -1.340
local terms energy: -203.767931
where:
bonds (distance) C4'-P energy: -52.383
bonds (distance) P-C4' energy: -58.327
flat angles C4'-P-C4' energy: -52.642
flat angles P-C4'-P energy: -46.190
tors. eta vs tors. theta energy: 5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -371.233237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.233237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.233237 (E_RNA)
where:
Base-Base interactions energy: -158.016
where: short stacking energy: -106.104
Base-Backbone interact. energy: 1.366
local terms energy: -214.583963
where:
bonds (distance) C4'-P energy: -59.632
bonds (distance) P-C4' energy: -57.765
flat angles C4'-P-C4' energy: -60.327
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: 3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1422.609107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.609107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.609107 (E_RNA)
where:
Base-Base interactions energy: -979.545
where: short stacking energy: -418.253
Base-Backbone interact. energy: -1.851
local terms energy: -441.212937
where:
bonds (distance) C4'-P energy: -74.593
bonds (distance) P-C4' energy: -94.718
flat angles C4'-P-C4' energy: -94.006
flat angles P-C4'-P energy: -50.182
tors. eta vs tors. theta energy: -127.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1352.752214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.752214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.752214 (E_RNA)
where:
Base-Base interactions energy: -934.947
where: short stacking energy: -374.772
Base-Backbone interact. energy: -2.040
local terms energy: -415.765453
where:
bonds (distance) C4'-P energy: -70.689
bonds (distance) P-C4' energy: -81.777
flat angles C4'-P-C4' energy: -76.919
flat angles P-C4'-P energy: -63.004
tors. eta vs tors. theta energy: -123.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1299.042716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.042716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.042716 (E_RNA)
where:
Base-Base interactions energy: -907.442
where: short stacking energy: -370.163
Base-Backbone interact. energy: -0.293
local terms energy: -391.307982
where:
bonds (distance) C4'-P energy: -83.032
bonds (distance) P-C4' energy: -61.037
flat angles C4'-P-C4' energy: -78.367
flat angles P-C4'-P energy: -51.701
tors. eta vs tors. theta energy: -117.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1199.363271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.363271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.363271 (E_RNA)
where:
Base-Base interactions energy: -799.707
where: short stacking energy: -346.165
Base-Backbone interact. energy: 1.057
local terms energy: -400.713288
where:
bonds (distance) C4'-P energy: -79.852
bonds (distance) P-C4' energy: -75.448
flat angles C4'-P-C4' energy: -81.392
flat angles P-C4'-P energy: -55.956
tors. eta vs tors. theta energy: -108.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1152.156539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.156539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.156539 (E_RNA)
where:
Base-Base interactions energy: -744.342
where: short stacking energy: -346.206
Base-Backbone interact. energy: -2.085
local terms energy: -405.730025
where:
bonds (distance) C4'-P energy: -80.816
bonds (distance) P-C4' energy: -81.525
flat angles C4'-P-C4' energy: -85.229
flat angles P-C4'-P energy: -50.450
tors. eta vs tors. theta energy: -107.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1021.927427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.927427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.927427 (E_RNA)
where:
Base-Base interactions energy: -704.686
where: short stacking energy: -280.644
Base-Backbone interact. energy: -3.053
local terms energy: -314.188849
where:
bonds (distance) C4'-P energy: -67.295
bonds (distance) P-C4' energy: -62.756
flat angles C4'-P-C4' energy: -77.155
flat angles P-C4'-P energy: -39.673
tors. eta vs tors. theta energy: -67.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -898.743350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.743350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.743350 (E_RNA)
where:
Base-Base interactions energy: -587.646
where: short stacking energy: -269.672
Base-Backbone interact. energy: 2.800
local terms energy: -313.898234
where:
bonds (distance) C4'-P energy: -48.834
bonds (distance) P-C4' energy: -76.281
flat angles C4'-P-C4' energy: -76.019
flat angles P-C4'-P energy: -39.825
tors. eta vs tors. theta energy: -72.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -540.817916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.817916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.817916 (E_RNA)
where:
Base-Base interactions energy: -278.342
where: short stacking energy: -142.375
Base-Backbone interact. energy: -1.679
local terms energy: -260.796331
where:
bonds (distance) C4'-P energy: -65.765
bonds (distance) P-C4' energy: -66.529
flat angles C4'-P-C4' energy: -79.122
flat angles P-C4'-P energy: -36.575
tors. eta vs tors. theta energy: -12.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -431.781589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.781589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.781589 (E_RNA)
where:
Base-Base interactions energy: -203.835
where: short stacking energy: -113.027
Base-Backbone interact. energy: -3.351
local terms energy: -224.595765
where:
bonds (distance) C4'-P energy: -46.953
bonds (distance) P-C4' energy: -67.521
flat angles C4'-P-C4' energy: -72.317
flat angles P-C4'-P energy: -41.049
tors. eta vs tors. theta energy: 3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -315.924856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.924856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.924856 (E_RNA)
where:
Base-Base interactions energy: -107.457
where: short stacking energy: -96.113
Base-Backbone interact. energy: -0.389
local terms energy: -208.079179
where:
bonds (distance) C4'-P energy: -63.668
bonds (distance) P-C4' energy: -68.620
flat angles C4'-P-C4' energy: -51.553
flat angles P-C4'-P energy: -35.510
tors. eta vs tors. theta energy: 11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1422.860154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.860154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.860154 (E_RNA)
where:
Base-Base interactions energy: -982.367
where: short stacking energy: -401.156
Base-Backbone interact. energy: -1.393
local terms energy: -439.099905
where:
bonds (distance) C4'-P energy: -82.863
bonds (distance) P-C4' energy: -82.604
flat angles C4'-P-C4' energy: -89.173
flat angles P-C4'-P energy: -61.371
tors. eta vs tors. theta energy: -123.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1342.308236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.308236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.308236 (E_RNA)
where:
Base-Base interactions energy: -914.755
where: short stacking energy: -385.914
Base-Backbone interact. energy: -0.351
local terms energy: -427.202702
where:
bonds (distance) C4'-P energy: -77.714
bonds (distance) P-C4' energy: -77.013
flat angles C4'-P-C4' energy: -93.629
flat angles P-C4'-P energy: -60.690
tors. eta vs tors. theta energy: -118.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1310.487452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.487452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.487452 (E_RNA)
where:
Base-Base interactions energy: -894.267
where: short stacking energy: -365.838
Base-Backbone interact. energy: -2.143
local terms energy: -414.077343
where:
bonds (distance) C4'-P energy: -87.621
bonds (distance) P-C4' energy: -71.036
flat angles C4'-P-C4' energy: -83.208
flat angles P-C4'-P energy: -55.096
tors. eta vs tors. theta energy: -117.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1100.901181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.901181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.901181 (E_RNA)
where:
Base-Base interactions energy: -707.136
where: short stacking energy: -303.793
Base-Backbone interact. energy: -1.086
local terms energy: -392.679761
where:
bonds (distance) C4'-P energy: -79.409
bonds (distance) P-C4' energy: -75.196
flat angles C4'-P-C4' energy: -83.244
flat angles P-C4'-P energy: -57.545
tors. eta vs tors. theta energy: -97.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1141.597572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.597572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.597572 (E_RNA)
where:
Base-Base interactions energy: -782.489
where: short stacking energy: -322.690
Base-Backbone interact. energy: -0.686
local terms energy: -358.422644
where:
bonds (distance) C4'-P energy: -64.166
bonds (distance) P-C4' energy: -70.978
flat angles C4'-P-C4' energy: -66.097
flat angles P-C4'-P energy: -54.863
tors. eta vs tors. theta energy: -102.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1007.817348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.817348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.817348 (E_RNA)
where:
Base-Base interactions energy: -684.326
where: short stacking energy: -285.141
Base-Backbone interact. energy: -1.649
local terms energy: -321.842674
where:
bonds (distance) C4'-P energy: -55.700
bonds (distance) P-C4' energy: -66.356
flat angles C4'-P-C4' energy: -83.258
flat angles P-C4'-P energy: -38.502
tors. eta vs tors. theta energy: -78.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -935.108731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.108731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.108731 (E_RNA)
where:
Base-Base interactions energy: -594.659
where: short stacking energy: -265.927
Base-Backbone interact. energy: -0.295
local terms energy: -340.154842
where:
bonds (distance) C4'-P energy: -65.180
bonds (distance) P-C4' energy: -69.063
flat angles C4'-P-C4' energy: -83.920
flat angles P-C4'-P energy: -43.750
tors. eta vs tors. theta energy: -78.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -566.466629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.466629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.466629 (E_RNA)
where:
Base-Base interactions energy: -310.502
where: short stacking energy: -169.222
Base-Backbone interact. energy: -1.347
local terms energy: -254.617530
where:
bonds (distance) C4'-P energy: -69.362
bonds (distance) P-C4' energy: -63.897
flat angles C4'-P-C4' energy: -67.004
flat angles P-C4'-P energy: -35.220
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -421.395209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.395209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.395209 (E_RNA)
where:
Base-Base interactions energy: -192.705
where: short stacking energy: -92.421
Base-Backbone interact. energy: -2.120
local terms energy: -226.570930
where:
bonds (distance) C4'-P energy: -61.862
bonds (distance) P-C4' energy: -56.999
flat angles C4'-P-C4' energy: -69.125
flat angles P-C4'-P energy: -46.527
tors. eta vs tors. theta energy: 7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -325.867900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.867900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.867900 (E_RNA)
where:
Base-Base interactions energy: -124.334
where: short stacking energy: -107.607
Base-Backbone interact. energy: 1.570
local terms energy: -203.104241
where:
bonds (distance) C4'-P energy: -59.918
bonds (distance) P-C4' energy: -66.415
flat angles C4'-P-C4' energy: -52.664
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: 4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1422.167654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.167654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.167654 (E_RNA)
where:
Base-Base interactions energy: -974.507
where: short stacking energy: -404.362
Base-Backbone interact. energy: -1.736
local terms energy: -445.924897
where:
bonds (distance) C4'-P energy: -83.569
bonds (distance) P-C4' energy: -84.352
flat angles C4'-P-C4' energy: -90.273
flat angles P-C4'-P energy: -58.302
tors. eta vs tors. theta energy: -129.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1345.314148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.314148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.314148 (E_RNA)
where:
Base-Base interactions energy: -921.761
where: short stacking energy: -389.813
Base-Backbone interact. energy: -2.453
local terms energy: -421.100035
where:
bonds (distance) C4'-P energy: -73.944
bonds (distance) P-C4' energy: -79.223
flat angles C4'-P-C4' energy: -89.408
flat angles P-C4'-P energy: -62.368
tors. eta vs tors. theta energy: -116.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1299.057687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.057687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.057687 (E_RNA)
where:
Base-Base interactions energy: -888.783
where: short stacking energy: -347.241
Base-Backbone interact. energy: -0.702
local terms energy: -409.571896
where:
bonds (distance) C4'-P energy: -81.860
bonds (distance) P-C4' energy: -75.542
flat angles C4'-P-C4' energy: -91.912
flat angles P-C4'-P energy: -57.940
tors. eta vs tors. theta energy: -102.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1152.117475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.117475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.117475 (E_RNA)
where:
Base-Base interactions energy: -771.431
where: short stacking energy: -325.582
Base-Backbone interact. energy: -1.650
local terms energy: -379.037151
where:
bonds (distance) C4'-P energy: -74.466
bonds (distance) P-C4' energy: -72.283
flat angles C4'-P-C4' energy: -75.128
flat angles P-C4'-P energy: -52.736
tors. eta vs tors. theta energy: -104.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1121.592143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.592143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.592143 (E_RNA)
where:
Base-Base interactions energy: -739.741
where: short stacking energy: -319.843
Base-Backbone interact. energy: 0.123
local terms energy: -381.974135
where:
bonds (distance) C4'-P energy: -69.682
bonds (distance) P-C4' energy: -81.033
flat angles C4'-P-C4' energy: -77.719
flat angles P-C4'-P energy: -56.448
tors. eta vs tors. theta energy: -97.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1037.907179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.907179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.907179 (E_RNA)
where:
Base-Base interactions energy: -710.033
where: short stacking energy: -276.859
Base-Backbone interact. energy: 0.922
local terms energy: -328.796035
where:
bonds (distance) C4'-P energy: -63.650
bonds (distance) P-C4' energy: -68.358
flat angles C4'-P-C4' energy: -77.258
flat angles P-C4'-P energy: -45.513
tors. eta vs tors. theta energy: -74.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -965.698773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.698773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.698773 (E_RNA)
where:
Base-Base interactions energy: -631.645
where: short stacking energy: -281.115
Base-Backbone interact. energy: -0.752
local terms energy: -333.302167
where:
bonds (distance) C4'-P energy: -61.805
bonds (distance) P-C4' energy: -64.418
flat angles C4'-P-C4' energy: -83.065
flat angles P-C4'-P energy: -47.941
tors. eta vs tors. theta energy: -76.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -584.906244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.906244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.906244 (E_RNA)
where:
Base-Base interactions energy: -341.980
where: short stacking energy: -155.793
Base-Backbone interact. energy: 0.264
local terms energy: -243.190503
where:
bonds (distance) C4'-P energy: -65.957
bonds (distance) P-C4' energy: -71.205
flat angles C4'-P-C4' energy: -59.625
flat angles P-C4'-P energy: -38.946
tors. eta vs tors. theta energy: -7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -413.210978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.210978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.210978 (E_RNA)
where:
Base-Base interactions energy: -207.468
where: short stacking energy: -125.144
Base-Backbone interact. energy: 3.233
local terms energy: -208.976160
where:
bonds (distance) C4'-P energy: -60.424
bonds (distance) P-C4' energy: -67.690
flat angles C4'-P-C4' energy: -51.417
flat angles P-C4'-P energy: -27.769
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -309.500386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.500386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.500386 (E_RNA)
where:
Base-Base interactions energy: -108.341
where: short stacking energy: -74.782
Base-Backbone interact. energy: -0.912
local terms energy: -200.247435
where:
bonds (distance) C4'-P energy: -65.881
bonds (distance) P-C4' energy: -69.660
flat angles C4'-P-C4' energy: -60.590
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: 11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1421.267326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.267326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.267326 (E_RNA)
where:
Base-Base interactions energy: -984.167
where: short stacking energy: -429.849
Base-Backbone interact. energy: -0.239
local terms energy: -436.861433
where:
bonds (distance) C4'-P energy: -78.141
bonds (distance) P-C4' energy: -79.865
flat angles C4'-P-C4' energy: -96.142
flat angles P-C4'-P energy: -57.355
tors. eta vs tors. theta energy: -125.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1344.358514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.358514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.358514 (E_RNA)
where:
Base-Base interactions energy: -923.589
where: short stacking energy: -381.856
Base-Backbone interact. energy: -2.696
local terms energy: -418.073353
where:
bonds (distance) C4'-P energy: -68.737
bonds (distance) P-C4' energy: -82.036
flat angles C4'-P-C4' energy: -88.520
flat angles P-C4'-P energy: -58.285
tors. eta vs tors. theta energy: -120.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1317.685245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.685245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.685245 (E_RNA)
where:
Base-Base interactions energy: -917.350
where: short stacking energy: -366.247
Base-Backbone interact. energy: -2.264
local terms energy: -398.071339
where:
bonds (distance) C4'-P energy: -63.738
bonds (distance) P-C4' energy: -74.327
flat angles C4'-P-C4' energy: -96.728
flat angles P-C4'-P energy: -54.144
tors. eta vs tors. theta energy: -109.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1193.287204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.287204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.287204 (E_RNA)
where:
Base-Base interactions energy: -789.638
where: short stacking energy: -355.836
Base-Backbone interact. energy: 1.285
local terms energy: -404.933432
where:
bonds (distance) C4'-P energy: -73.701
bonds (distance) P-C4' energy: -79.108
flat angles C4'-P-C4' energy: -76.880
flat angles P-C4'-P energy: -58.196
tors. eta vs tors. theta energy: -117.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1129.017487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.017487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.017487 (E_RNA)
where:
Base-Base interactions energy: -733.253
where: short stacking energy: -336.457
Base-Backbone interact. energy: -0.699
local terms energy: -395.065395
where:
bonds (distance) C4'-P energy: -69.830
bonds (distance) P-C4' energy: -76.264
flat angles C4'-P-C4' energy: -83.974
flat angles P-C4'-P energy: -62.272
tors. eta vs tors. theta energy: -102.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1061.222094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.222094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.222094 (E_RNA)
where:
Base-Base interactions energy: -698.655
where: short stacking energy: -286.359
Base-Backbone interact. energy: 4.135
local terms energy: -366.702217
where:
bonds (distance) C4'-P energy: -76.766
bonds (distance) P-C4' energy: -68.624
flat angles C4'-P-C4' energy: -85.681
flat angles P-C4'-P energy: -54.135
tors. eta vs tors. theta energy: -81.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -966.671304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.671304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.671304 (E_RNA)
where:
Base-Base interactions energy: -638.076
where: short stacking energy: -259.264
Base-Backbone interact. energy: -0.213
local terms energy: -328.382002
where:
bonds (distance) C4'-P energy: -67.851
bonds (distance) P-C4' energy: -70.280
flat angles C4'-P-C4' energy: -68.971
flat angles P-C4'-P energy: -48.442
tors. eta vs tors. theta energy: -72.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -580.777545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.777545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.777545 (E_RNA)
where:
Base-Base interactions energy: -310.662
where: short stacking energy: -177.223
Base-Backbone interact. energy: 9.150
local terms energy: -279.265362
where:
bonds (distance) C4'-P energy: -61.052
bonds (distance) P-C4' energy: -79.920
flat angles C4'-P-C4' energy: -64.310
flat angles P-C4'-P energy: -46.436
tors. eta vs tors. theta energy: -27.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -413.649295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.649295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.649295 (E_RNA)
where:
Base-Base interactions energy: -191.164
where: short stacking energy: -93.481
Base-Backbone interact. energy: -1.825
local terms energy: -220.660295
where:
bonds (distance) C4'-P energy: -73.144
bonds (distance) P-C4' energy: -68.099
flat angles C4'-P-C4' energy: -53.204
flat angles P-C4'-P energy: -37.313
tors. eta vs tors. theta energy: 11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -314.991651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.991651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.991651 (E_RNA)
where:
Base-Base interactions energy: -100.546
where: short stacking energy: -74.650
Base-Backbone interact. energy: -2.220
local terms energy: -212.225918
where:
bonds (distance) C4'-P energy: -75.334
bonds (distance) P-C4' energy: -81.074
flat angles C4'-P-C4' energy: -53.578
flat angles P-C4'-P energy: -26.814
tors. eta vs tors. theta energy: 24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1409.127446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.127446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.127446 (E_RNA)
where:
Base-Base interactions energy: -984.898
where: short stacking energy: -421.802
Base-Backbone interact. energy: 0.459
local terms energy: -424.687764
where:
bonds (distance) C4'-P energy: -76.838
bonds (distance) P-C4' energy: -78.651
flat angles C4'-P-C4' energy: -88.508
flat angles P-C4'-P energy: -60.472
tors. eta vs tors. theta energy: -120.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1345.082461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.082461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.082461 (E_RNA)
where:
Base-Base interactions energy: -912.747
where: short stacking energy: -393.365
Base-Backbone interact. energy: -1.066
local terms energy: -431.269415
where:
bonds (distance) C4'-P energy: -83.461
bonds (distance) P-C4' energy: -81.023
flat angles C4'-P-C4' energy: -91.617
flat angles P-C4'-P energy: -58.849
tors. eta vs tors. theta energy: -116.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1296.328119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.328119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.328119 (E_RNA)
where:
Base-Base interactions energy: -901.385
where: short stacking energy: -350.728
Base-Backbone interact. energy: -2.136
local terms energy: -392.807264
where:
bonds (distance) C4'-P energy: -68.449
bonds (distance) P-C4' energy: -69.726
flat angles C4'-P-C4' energy: -89.430
flat angles P-C4'-P energy: -57.384
tors. eta vs tors. theta energy: -107.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1187.664728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.664728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.664728 (E_RNA)
where:
Base-Base interactions energy: -794.129
where: short stacking energy: -344.762
Base-Backbone interact. energy: -0.436
local terms energy: -393.099458
where:
bonds (distance) C4'-P energy: -78.088
bonds (distance) P-C4' energy: -79.345
flat angles C4'-P-C4' energy: -80.245
flat angles P-C4'-P energy: -56.291
tors. eta vs tors. theta energy: -99.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1156.083656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.083656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.083656 (E_RNA)
where:
Base-Base interactions energy: -786.341
where: short stacking energy: -329.270
Base-Backbone interact. energy: -0.010
local terms energy: -369.732903
where:
bonds (distance) C4'-P energy: -73.971
bonds (distance) P-C4' energy: -71.035
flat angles C4'-P-C4' energy: -76.824
flat angles P-C4'-P energy: -44.170
tors. eta vs tors. theta energy: -103.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1073.539783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.539783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.539783 (E_RNA)
where:
Base-Base interactions energy: -734.720
where: short stacking energy: -281.916
Base-Backbone interact. energy: -1.213
local terms energy: -337.606764
where:
bonds (distance) C4'-P energy: -75.865
bonds (distance) P-C4' energy: -72.009
flat angles C4'-P-C4' energy: -70.996
flat angles P-C4'-P energy: -38.073
tors. eta vs tors. theta energy: -80.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -966.715839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.715839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.715839 (E_RNA)
where:
Base-Base interactions energy: -633.944
where: short stacking energy: -266.781
Base-Backbone interact. energy: -0.873
local terms energy: -331.899226
where:
bonds (distance) C4'-P energy: -70.040
bonds (distance) P-C4' energy: -69.233
flat angles C4'-P-C4' energy: -76.512
flat angles P-C4'-P energy: -40.395
tors. eta vs tors. theta energy: -75.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -586.922336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.922336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.922336 (E_RNA)
where:
Base-Base interactions energy: -342.062
where: short stacking energy: -170.152
Base-Backbone interact. energy: -0.129
local terms energy: -244.731723
where:
bonds (distance) C4'-P energy: -48.757
bonds (distance) P-C4' energy: -56.139
flat angles C4'-P-C4' energy: -74.239
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -37.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -391.504340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.504340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.504340 (E_RNA)
where:
Base-Base interactions energy: -164.413
where: short stacking energy: -107.476
Base-Backbone interact. energy: 0.206
local terms energy: -227.297559
where:
bonds (distance) C4'-P energy: -70.846
bonds (distance) P-C4' energy: -68.576
flat angles C4'-P-C4' energy: -50.346
flat angles P-C4'-P energy: -45.722
tors. eta vs tors. theta energy: 8.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -324.467591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.467591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.467591 (E_RNA)
where:
Base-Base interactions energy: -114.950
where: short stacking energy: -65.033
Base-Backbone interact. energy: 0.519
local terms energy: -210.036783
where:
bonds (distance) C4'-P energy: -49.018
bonds (distance) P-C4' energy: -73.052
flat angles C4'-P-C4' energy: -74.687
flat angles P-C4'-P energy: -29.519
tors. eta vs tors. theta energy: 16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1412.129597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.129597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.129597 (E_RNA)
where:
Base-Base interactions energy: -981.867
where: short stacking energy: -404.176
Base-Backbone interact. energy: 0.188
local terms energy: -430.450255
where:
bonds (distance) C4'-P energy: -76.746
bonds (distance) P-C4' energy: -77.498
flat angles C4'-P-C4' energy: -94.929
flat angles P-C4'-P energy: -55.255
tors. eta vs tors. theta energy: -126.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1358.498951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.498951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.498951 (E_RNA)
where:
Base-Base interactions energy: -945.277
where: short stacking energy: -391.524
Base-Backbone interact. energy: -1.352
local terms energy: -411.869845
where:
bonds (distance) C4'-P energy: -66.012
bonds (distance) P-C4' energy: -79.864
flat angles C4'-P-C4' energy: -83.284
flat angles P-C4'-P energy: -57.136
tors. eta vs tors. theta energy: -125.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1327.817596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.817596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.817596 (E_RNA)
where:
Base-Base interactions energy: -920.260
where: short stacking energy: -372.719
Base-Backbone interact. energy: -1.330
local terms energy: -406.227628
where:
bonds (distance) C4'-P energy: -77.553
bonds (distance) P-C4' energy: -72.795
flat angles C4'-P-C4' energy: -89.626
flat angles P-C4'-P energy: -53.680
tors. eta vs tors. theta energy: -112.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1179.451023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.451023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.451023 (E_RNA)
where:
Base-Base interactions energy: -812.633
where: short stacking energy: -360.331
Base-Backbone interact. energy: 0.284
local terms energy: -367.101828
where:
bonds (distance) C4'-P energy: -67.355
bonds (distance) P-C4' energy: -60.872
flat angles C4'-P-C4' energy: -78.853
flat angles P-C4'-P energy: -53.180
tors. eta vs tors. theta energy: -106.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1163.813725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.813725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.813725 (E_RNA)
where:
Base-Base interactions energy: -769.931
where: short stacking energy: -336.312
Base-Backbone interact. energy: 0.858
local terms energy: -394.740825
where:
bonds (distance) C4'-P energy: -78.266
bonds (distance) P-C4' energy: -82.997
flat angles C4'-P-C4' energy: -79.094
flat angles P-C4'-P energy: -57.760
tors. eta vs tors. theta energy: -96.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1073.958434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.958434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.958434 (E_RNA)
where:
Base-Base interactions energy: -739.717
where: short stacking energy: -297.485
Base-Backbone interact. energy: -0.961
local terms energy: -333.281324
where:
bonds (distance) C4'-P energy: -61.904
bonds (distance) P-C4' energy: -66.211
flat angles C4'-P-C4' energy: -84.298
flat angles P-C4'-P energy: -40.725
tors. eta vs tors. theta energy: -80.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -983.427231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.427231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.427231 (E_RNA)
where:
Base-Base interactions energy: -647.294
where: short stacking energy: -283.372
Base-Backbone interact. energy: 0.577
local terms energy: -336.710059
where:
bonds (distance) C4'-P energy: -70.388
bonds (distance) P-C4' energy: -61.955
flat angles C4'-P-C4' energy: -80.613
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -82.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -571.880265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.880265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.880265 (E_RNA)
where:
Base-Base interactions energy: -326.158
where: short stacking energy: -168.190
Base-Backbone interact. energy: 0.728
local terms energy: -246.450709
where:
bonds (distance) C4'-P energy: -68.764
bonds (distance) P-C4' energy: -76.191
flat angles C4'-P-C4' energy: -66.231
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -402.962099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.962099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.962099 (E_RNA)
where:
Base-Base interactions energy: -174.174
where: short stacking energy: -116.551
Base-Backbone interact. energy: -1.964
local terms energy: -226.824004
where:
bonds (distance) C4'-P energy: -57.202
bonds (distance) P-C4' energy: -70.928
flat angles C4'-P-C4' energy: -76.393
flat angles P-C4'-P energy: -29.681
tors. eta vs tors. theta energy: 7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -364.567387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.567387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.567387 (E_RNA)
where:
Base-Base interactions energy: -167.883
where: short stacking energy: -109.922
Base-Backbone interact. energy: -0.856
local terms energy: -195.828565
where:
bonds (distance) C4'-P energy: -63.221
bonds (distance) P-C4' energy: -53.942
flat angles C4'-P-C4' energy: -59.445
flat angles P-C4'-P energy: -28.255
tors. eta vs tors. theta energy: 9.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1429.661863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.661863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.661863 (E_RNA)
where:
Base-Base interactions energy: -974.901
where: short stacking energy: -417.327
Base-Backbone interact. energy: -0.897
local terms energy: -453.863032
where:
bonds (distance) C4'-P energy: -79.481
bonds (distance) P-C4' energy: -85.535
flat angles C4'-P-C4' energy: -93.052
flat angles P-C4'-P energy: -66.617
tors. eta vs tors. theta energy: -129.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1348.194678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.194678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.194678 (E_RNA)
where:
Base-Base interactions energy: -921.827
where: short stacking energy: -372.168
Base-Backbone interact. energy: -0.441
local terms energy: -425.926574
where:
bonds (distance) C4'-P energy: -71.247
bonds (distance) P-C4' energy: -85.880
flat angles C4'-P-C4' energy: -86.485
flat angles P-C4'-P energy: -61.795
tors. eta vs tors. theta energy: -120.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1306.882083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.882083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.882083 (E_RNA)
where:
Base-Base interactions energy: -883.544
where: short stacking energy: -359.530
Base-Backbone interact. energy: -4.621
local terms energy: -418.716517
where:
bonds (distance) C4'-P energy: -67.479
bonds (distance) P-C4' energy: -80.059
flat angles C4'-P-C4' energy: -92.310
flat angles P-C4'-P energy: -67.011
tors. eta vs tors. theta energy: -111.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1156.239051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.239051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.239051 (E_RNA)
where:
Base-Base interactions energy: -781.294
where: short stacking energy: -347.556
Base-Backbone interact. energy: 0.128
local terms energy: -375.072437
where:
bonds (distance) C4'-P energy: -71.402
bonds (distance) P-C4' energy: -67.318
flat angles C4'-P-C4' energy: -75.749
flat angles P-C4'-P energy: -53.445
tors. eta vs tors. theta energy: -107.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1138.516186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.516186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.516186 (E_RNA)
where:
Base-Base interactions energy: -760.455
where: short stacking energy: -328.992
Base-Backbone interact. energy: -0.170
local terms energy: -377.890541
where:
bonds (distance) C4'-P energy: -70.272
bonds (distance) P-C4' energy: -76.864
flat angles C4'-P-C4' energy: -76.104
flat angles P-C4'-P energy: -49.848
tors. eta vs tors. theta energy: -104.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1037.139455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.139455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.139455 (E_RNA)
where:
Base-Base interactions energy: -683.590
where: short stacking energy: -288.247
Base-Backbone interact. energy: -2.632
local terms energy: -350.916986
where:
bonds (distance) C4'-P energy: -72.858
bonds (distance) P-C4' energy: -71.266
flat angles C4'-P-C4' energy: -89.538
flat angles P-C4'-P energy: -42.619
tors. eta vs tors. theta energy: -74.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -972.274873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.274873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.274873 (E_RNA)
where:
Base-Base interactions energy: -640.594
where: short stacking energy: -283.821
Base-Backbone interact. energy: 2.174
local terms energy: -333.855312
where:
bonds (distance) C4'-P energy: -65.637
bonds (distance) P-C4' energy: -58.126
flat angles C4'-P-C4' energy: -74.836
flat angles P-C4'-P energy: -52.261
tors. eta vs tors. theta energy: -82.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -590.544517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.544517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.544517 (E_RNA)
where:
Base-Base interactions energy: -320.464
where: short stacking energy: -163.222
Base-Backbone interact. energy: -3.652
local terms energy: -266.428724
where:
bonds (distance) C4'-P energy: -67.320
bonds (distance) P-C4' energy: -71.426
flat angles C4'-P-C4' energy: -63.319
flat angles P-C4'-P energy: -45.519
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -412.476533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.476533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.476533 (E_RNA)
where:
Base-Base interactions energy: -192.487
where: short stacking energy: -111.339
Base-Backbone interact. energy: 2.947
local terms energy: -222.936056
where:
bonds (distance) C4'-P energy: -57.506
bonds (distance) P-C4' energy: -62.816
flat angles C4'-P-C4' energy: -61.273
flat angles P-C4'-P energy: -41.490
tors. eta vs tors. theta energy: 0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -346.194823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.194823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.194823 (E_RNA)
where:
Base-Base interactions energy: -127.953
where: short stacking energy: -93.905
Base-Backbone interact. energy: 3.252
local terms energy: -221.493944
where:
bonds (distance) C4'-P energy: -56.903
bonds (distance) P-C4' energy: -67.098
flat angles C4'-P-C4' energy: -56.011
flat angles P-C4'-P energy: -40.415
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1423.287180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.287180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.287180 (E_RNA)
where:
Base-Base interactions energy: -988.417
where: short stacking energy: -414.177
Base-Backbone interact. energy: -1.519
local terms energy: -433.350988
where:
bonds (distance) C4'-P energy: -75.494
bonds (distance) P-C4' energy: -78.270
flat angles C4'-P-C4' energy: -93.257
flat angles P-C4'-P energy: -60.888
tors. eta vs tors. theta energy: -125.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1347.466814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.466814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.466814 (E_RNA)
where:
Base-Base interactions energy: -918.520
where: short stacking energy: -386.773
Base-Backbone interact. energy: -2.650
local terms energy: -426.297292
where:
bonds (distance) C4'-P energy: -83.453
bonds (distance) P-C4' energy: -82.932
flat angles C4'-P-C4' energy: -89.719
flat angles P-C4'-P energy: -49.465
tors. eta vs tors. theta energy: -120.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1323.416619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.416619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.416619 (E_RNA)
where:
Base-Base interactions energy: -919.244
where: short stacking energy: -360.922
Base-Backbone interact. energy: 0.292
local terms energy: -404.464187
where:
bonds (distance) C4'-P energy: -71.201
bonds (distance) P-C4' energy: -76.577
flat angles C4'-P-C4' energy: -83.524
flat angles P-C4'-P energy: -55.486
tors. eta vs tors. theta energy: -117.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1194.044644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.044644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.044644 (E_RNA)
where:
Base-Base interactions energy: -803.269
where: short stacking energy: -336.453
Base-Backbone interact. energy: 3.801
local terms energy: -394.576749
where:
bonds (distance) C4'-P energy: -76.049
bonds (distance) P-C4' energy: -75.496
flat angles C4'-P-C4' energy: -92.842
flat angles P-C4'-P energy: -57.773
tors. eta vs tors. theta energy: -92.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1101.163761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.163761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.163761 (E_RNA)
where:
Base-Base interactions energy: -738.492
where: short stacking energy: -314.808
Base-Backbone interact. energy: -1.494
local terms energy: -361.177828
where:
bonds (distance) C4'-P energy: -66.041
bonds (distance) P-C4' energy: -78.398
flat angles C4'-P-C4' energy: -63.266
flat angles P-C4'-P energy: -52.231
tors. eta vs tors. theta energy: -101.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1028.270711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.270711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.270711 (E_RNA)
where:
Base-Base interactions energy: -716.729
where: short stacking energy: -289.570
Base-Backbone interact. energy: -1.980
local terms energy: -309.561701
where:
bonds (distance) C4'-P energy: -66.194
bonds (distance) P-C4' energy: -70.249
flat angles C4'-P-C4' energy: -63.699
flat angles P-C4'-P energy: -42.343
tors. eta vs tors. theta energy: -67.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -912.845590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.845590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.845590 (E_RNA)
where:
Base-Base interactions energy: -598.340
where: short stacking energy: -242.675
Base-Backbone interact. energy: -2.563
local terms energy: -311.942194
where:
bonds (distance) C4'-P energy: -61.979
bonds (distance) P-C4' energy: -65.632
flat angles C4'-P-C4' energy: -72.373
flat angles P-C4'-P energy: -47.031
tors. eta vs tors. theta energy: -64.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -556.463300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.463300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.463300 (E_RNA)
where:
Base-Base interactions energy: -285.144
where: short stacking energy: -177.589
Base-Backbone interact. energy: -1.171
local terms energy: -270.148211
where:
bonds (distance) C4'-P energy: -73.269
bonds (distance) P-C4' energy: -78.259
flat angles C4'-P-C4' energy: -72.122
flat angles P-C4'-P energy: -27.178
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -396.687530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.687530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.687530 (E_RNA)
where:
Base-Base interactions energy: -158.473
where: short stacking energy: -102.852
Base-Backbone interact. energy: -2.582
local terms energy: -235.632771
where:
bonds (distance) C4'-P energy: -64.794
bonds (distance) P-C4' energy: -68.255
flat angles C4'-P-C4' energy: -71.949
flat angles P-C4'-P energy: -45.317
tors. eta vs tors. theta energy: 14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -315.366151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.366151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.366151 (E_RNA)
where:
Base-Base interactions energy: -102.809
where: short stacking energy: -76.595
Base-Backbone interact. energy: -0.299
local terms energy: -212.257803
where:
bonds (distance) C4'-P energy: -50.625
bonds (distance) P-C4' energy: -68.813
flat angles C4'-P-C4' energy: -65.326
flat angles P-C4'-P energy: -37.805
tors. eta vs tors. theta energy: 10.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1427.787607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.787607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.787607 (E_RNA)
where:
Base-Base interactions energy: -978.051
where: short stacking energy: -415.840
Base-Backbone interact. energy: 0.432
local terms energy: -450.167857
where:
bonds (distance) C4'-P energy: -86.495
bonds (distance) P-C4' energy: -77.279
flat angles C4'-P-C4' energy: -90.745
flat angles P-C4'-P energy: -67.282
tors. eta vs tors. theta energy: -128.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1337.197032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.197032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.197032 (E_RNA)
where:
Base-Base interactions energy: -927.004
where: short stacking energy: -395.370
Base-Backbone interact. energy: -2.595
local terms energy: -407.597943
where:
bonds (distance) C4'-P energy: -68.780
bonds (distance) P-C4' energy: -80.189
flat angles C4'-P-C4' energy: -77.934
flat angles P-C4'-P energy: -56.610
tors. eta vs tors. theta energy: -124.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1291.215892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.215892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.215892 (E_RNA)
where:
Base-Base interactions energy: -892.098
where: short stacking energy: -360.753
Base-Backbone interact. energy: -0.479
local terms energy: -398.638538
where:
bonds (distance) C4'-P energy: -80.342
bonds (distance) P-C4' energy: -70.987
flat angles C4'-P-C4' energy: -84.098
flat angles P-C4'-P energy: -46.794
tors. eta vs tors. theta energy: -116.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1209.071523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.071523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.071523 (E_RNA)
where:
Base-Base interactions energy: -830.370
where: short stacking energy: -353.699
Base-Backbone interact. energy: -2.370
local terms energy: -376.331730
where:
bonds (distance) C4'-P energy: -72.617
bonds (distance) P-C4' energy: -78.095
flat angles C4'-P-C4' energy: -65.792
flat angles P-C4'-P energy: -60.758
tors. eta vs tors. theta energy: -99.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1107.415663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.415663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.415663 (E_RNA)
where:
Base-Base interactions energy: -739.644
where: short stacking energy: -333.291
Base-Backbone interact. energy: -0.700
local terms energy: -367.071749
where:
bonds (distance) C4'-P energy: -71.165
bonds (distance) P-C4' energy: -70.017
flat angles C4'-P-C4' energy: -78.746
flat angles P-C4'-P energy: -48.527
tors. eta vs tors. theta energy: -98.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1082.707059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.707059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.707059 (E_RNA)
where:
Base-Base interactions energy: -736.744
where: short stacking energy: -304.938
Base-Backbone interact. energy: -0.632
local terms energy: -345.330537
where:
bonds (distance) C4'-P energy: -64.501
bonds (distance) P-C4' energy: -78.362
flat angles C4'-P-C4' energy: -74.427
flat angles P-C4'-P energy: -51.731
tors. eta vs tors. theta energy: -76.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -974.239400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.239400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.239400 (E_RNA)
where:
Base-Base interactions energy: -676.574
where: short stacking energy: -302.158
Base-Backbone interact. energy: 0.028
local terms energy: -297.692778
where:
bonds (distance) C4'-P energy: -61.675
bonds (distance) P-C4' energy: -58.940
flat angles C4'-P-C4' energy: -59.970
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -80.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -626.829568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.829568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.829568 (E_RNA)
where:
Base-Base interactions energy: -349.957
where: short stacking energy: -183.540
Base-Backbone interact. energy: -2.090
local terms energy: -274.782914
where:
bonds (distance) C4'-P energy: -49.549
bonds (distance) P-C4' energy: -64.540
flat angles C4'-P-C4' energy: -74.196
flat angles P-C4'-P energy: -47.019
tors. eta vs tors. theta energy: -39.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -420.058934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.058934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.058934 (E_RNA)
where:
Base-Base interactions energy: -183.822
where: short stacking energy: -126.194
Base-Backbone interact. energy: -0.542
local terms energy: -235.695206
where:
bonds (distance) C4'-P energy: -45.596
bonds (distance) P-C4' energy: -59.270
flat angles C4'-P-C4' energy: -75.696
flat angles P-C4'-P energy: -46.130
tors. eta vs tors. theta energy: -9.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -309.506496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.506496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.506496 (E_RNA)
where:
Base-Base interactions energy: -101.490
where: short stacking energy: -93.689
Base-Backbone interact. energy: 2.468
local terms energy: -210.484469
where:
bonds (distance) C4'-P energy: -67.675
bonds (distance) P-C4' energy: -74.016
flat angles C4'-P-C4' energy: -46.047
flat angles P-C4'-P energy: -36.093
tors. eta vs tors. theta energy: 13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1414.860746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.860746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.860746 (E_RNA)
where:
Base-Base interactions energy: -964.155
where: short stacking energy: -396.135
Base-Backbone interact. energy: -1.015
local terms energy: -449.691230
where:
bonds (distance) C4'-P energy: -88.272
bonds (distance) P-C4' energy: -81.328
flat angles C4'-P-C4' energy: -95.794
flat angles P-C4'-P energy: -63.219
tors. eta vs tors. theta energy: -121.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1350.700647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.700647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.700647 (E_RNA)
where:
Base-Base interactions energy: -915.281
where: short stacking energy: -365.284
Base-Backbone interact. energy: -6.314
local terms energy: -429.105998
where:
bonds (distance) C4'-P energy: -78.076
bonds (distance) P-C4' energy: -89.494
flat angles C4'-P-C4' energy: -89.700
flat angles P-C4'-P energy: -57.949
tors. eta vs tors. theta energy: -113.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1312.307107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.307107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.307107 (E_RNA)
where:
Base-Base interactions energy: -892.215
where: short stacking energy: -372.284
Base-Backbone interact. energy: 0.655
local terms energy: -420.746541
where:
bonds (distance) C4'-P energy: -68.981
bonds (distance) P-C4' energy: -82.868
flat angles C4'-P-C4' energy: -90.261
flat angles P-C4'-P energy: -58.784
tors. eta vs tors. theta energy: -119.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1214.602663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.602663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.602663 (E_RNA)
where:
Base-Base interactions energy: -806.007
where: short stacking energy: -345.028
Base-Backbone interact. energy: -0.862
local terms energy: -407.733679
where:
bonds (distance) C4'-P energy: -80.660
bonds (distance) P-C4' energy: -81.819
flat angles C4'-P-C4' energy: -86.590
flat angles P-C4'-P energy: -55.282
tors. eta vs tors. theta energy: -103.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1133.727738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.727738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.727738 (E_RNA)
where:
Base-Base interactions energy: -735.961
where: short stacking energy: -324.608
Base-Backbone interact. energy: -0.682
local terms energy: -397.084304
where:
bonds (distance) C4'-P energy: -78.527
bonds (distance) P-C4' energy: -76.047
flat angles C4'-P-C4' energy: -80.735
flat angles P-C4'-P energy: -56.101
tors. eta vs tors. theta energy: -105.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1018.470171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.470171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.470171 (E_RNA)
where:
Base-Base interactions energy: -661.548
where: short stacking energy: -271.947
Base-Backbone interact. energy: -0.915
local terms energy: -356.007211
where:
bonds (distance) C4'-P energy: -72.805
bonds (distance) P-C4' energy: -73.674
flat angles C4'-P-C4' energy: -78.439
flat angles P-C4'-P energy: -55.810
tors. eta vs tors. theta energy: -75.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -978.799849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.799849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.799849 (E_RNA)
where:
Base-Base interactions energy: -690.857
where: short stacking energy: -264.882
Base-Backbone interact. energy: -2.068
local terms energy: -285.874702
where:
bonds (distance) C4'-P energy: -51.751
bonds (distance) P-C4' energy: -72.195
flat angles C4'-P-C4' energy: -66.557
flat angles P-C4'-P energy: -45.128
tors. eta vs tors. theta energy: -50.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -593.216520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.216520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.216520 (E_RNA)
where:
Base-Base interactions energy: -343.739
where: short stacking energy: -170.063
Base-Backbone interact. energy: -2.113
local terms energy: -247.364685
where:
bonds (distance) C4'-P energy: -50.096
bonds (distance) P-C4' energy: -62.868
flat angles C4'-P-C4' energy: -57.773
flat angles P-C4'-P energy: -39.169
tors. eta vs tors. theta energy: -37.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -441.625109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.625109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.625109 (E_RNA)
where:
Base-Base interactions energy: -190.074
where: short stacking energy: -123.827
Base-Backbone interact. energy: -4.452
local terms energy: -247.099180
where:
bonds (distance) C4'-P energy: -65.513
bonds (distance) P-C4' energy: -66.110
flat angles C4'-P-C4' energy: -64.784
flat angles P-C4'-P energy: -45.006
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -339.413388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.413388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.413388 (E_RNA)
where:
Base-Base interactions energy: -137.302
where: short stacking energy: -95.283
Base-Backbone interact. energy: 6.869
local terms energy: -208.979589
where:
bonds (distance) C4'-P energy: -77.613
bonds (distance) P-C4' energy: -65.224
flat angles C4'-P-C4' energy: -45.462
flat angles P-C4'-P energy: -30.696
tors. eta vs tors. theta energy: 10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1418.655076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.655076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.655076 (E_RNA)
where:
Base-Base interactions energy: -991.781
where: short stacking energy: -407.521
Base-Backbone interact. energy: 0.252
local terms energy: -427.126581
where:
bonds (distance) C4'-P energy: -83.420
bonds (distance) P-C4' energy: -76.059
flat angles C4'-P-C4' energy: -88.308
flat angles P-C4'-P energy: -52.935
tors. eta vs tors. theta energy: -126.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1338.169268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.169268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.169268 (E_RNA)
where:
Base-Base interactions energy: -923.421
where: short stacking energy: -368.782
Base-Backbone interact. energy: -2.349
local terms energy: -412.399567
where:
bonds (distance) C4'-P energy: -68.264
bonds (distance) P-C4' energy: -85.557
flat angles C4'-P-C4' energy: -88.334
flat angles P-C4'-P energy: -51.365
tors. eta vs tors. theta energy: -118.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1315.469791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.469791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.469791 (E_RNA)
where:
Base-Base interactions energy: -890.421
where: short stacking energy: -364.136
Base-Backbone interact. energy: -1.340
local terms energy: -423.708768
where:
bonds (distance) C4'-P energy: -74.348
bonds (distance) P-C4' energy: -79.519
flat angles C4'-P-C4' energy: -90.181
flat angles P-C4'-P energy: -62.172
tors. eta vs tors. theta energy: -117.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1197.087323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.087323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.087323 (E_RNA)
where:
Base-Base interactions energy: -804.791
where: short stacking energy: -337.316
Base-Backbone interact. energy: -1.225
local terms energy: -391.071093
where:
bonds (distance) C4'-P energy: -80.490
bonds (distance) P-C4' energy: -68.179
flat angles C4'-P-C4' energy: -79.961
flat angles P-C4'-P energy: -60.317
tors. eta vs tors. theta energy: -102.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1115.211840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.211840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.211840 (E_RNA)
where:
Base-Base interactions energy: -746.447
where: short stacking energy: -334.430
Base-Backbone interact. energy: 0.009
local terms energy: -368.773592
where:
bonds (distance) C4'-P energy: -81.582
bonds (distance) P-C4' energy: -56.658
flat angles C4'-P-C4' energy: -92.602
flat angles P-C4'-P energy: -43.964
tors. eta vs tors. theta energy: -93.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1006.131511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.131511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.131511 (E_RNA)
where:
Base-Base interactions energy: -652.718
where: short stacking energy: -299.092
Base-Backbone interact. energy: 1.128
local terms energy: -354.541261
where:
bonds (distance) C4'-P energy: -73.326
bonds (distance) P-C4' energy: -68.984
flat angles C4'-P-C4' energy: -80.145
flat angles P-C4'-P energy: -42.727
tors. eta vs tors. theta energy: -89.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -910.983953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.983953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.983953 (E_RNA)
where:
Base-Base interactions energy: -598.734
where: short stacking energy: -237.869
Base-Backbone interact. energy: -1.045
local terms energy: -311.205323
where:
bonds (distance) C4'-P energy: -72.133
bonds (distance) P-C4' energy: -65.806
flat angles C4'-P-C4' energy: -71.502
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -63.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -565.067997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.067997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.067997 (E_RNA)
where:
Base-Base interactions energy: -304.134
where: short stacking energy: -139.486
Base-Backbone interact. energy: 4.374
local terms energy: -265.307864
where:
bonds (distance) C4'-P energy: -77.949
bonds (distance) P-C4' energy: -76.107
flat angles C4'-P-C4' energy: -58.322
flat angles P-C4'-P energy: -44.348
tors. eta vs tors. theta energy: -8.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -427.855084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.855084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.855084 (E_RNA)
where:
Base-Base interactions energy: -187.187
where: short stacking energy: -105.182
Base-Backbone interact. energy: -1.281
local terms energy: -239.386575
where:
bonds (distance) C4'-P energy: -66.492
bonds (distance) P-C4' energy: -76.429
flat angles C4'-P-C4' energy: -66.801
flat angles P-C4'-P energy: -24.880
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -325.151640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.151640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.151640 (E_RNA)
where:
Base-Base interactions energy: -118.796
where: short stacking energy: -82.832
Base-Backbone interact. energy: -1.531
local terms energy: -204.824799
where:
bonds (distance) C4'-P energy: -75.002
bonds (distance) P-C4' energy: -63.532
flat angles C4'-P-C4' energy: -50.351
flat angles P-C4'-P energy: -30.171
tors. eta vs tors. theta energy: 14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1413.584028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.584028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.584028 (E_RNA)
where:
Base-Base interactions energy: -987.211
where: short stacking energy: -403.549
Base-Backbone interact. energy: -0.628
local terms energy: -425.744580
where:
bonds (distance) C4'-P energy: -77.871
bonds (distance) P-C4' energy: -77.621
flat angles C4'-P-C4' energy: -89.980
flat angles P-C4'-P energy: -56.961
tors. eta vs tors. theta energy: -123.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1351.008587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.008587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.008587 (E_RNA)
where:
Base-Base interactions energy: -927.668
where: short stacking energy: -369.725
Base-Backbone interact. energy: 1.127
local terms energy: -424.467314
where:
bonds (distance) C4'-P energy: -77.038
bonds (distance) P-C4' energy: -88.745
flat angles C4'-P-C4' energy: -86.754
flat angles P-C4'-P energy: -52.716
tors. eta vs tors. theta energy: -119.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1295.725760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.725760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.725760 (E_RNA)
where:
Base-Base interactions energy: -888.762
where: short stacking energy: -368.902
Base-Backbone interact. energy: -0.864
local terms energy: -406.099911
where:
bonds (distance) C4'-P energy: -66.484
bonds (distance) P-C4' energy: -82.434
flat angles C4'-P-C4' energy: -87.178
flat angles P-C4'-P energy: -48.618
tors. eta vs tors. theta energy: -121.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1186.789442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.789442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.789442 (E_RNA)
where:
Base-Base interactions energy: -818.913
where: short stacking energy: -357.500
Base-Backbone interact. energy: 5.318
local terms energy: -373.194336
where:
bonds (distance) C4'-P energy: -63.986
bonds (distance) P-C4' energy: -74.824
flat angles C4'-P-C4' energy: -76.456
flat angles P-C4'-P energy: -51.662
tors. eta vs tors. theta energy: -106.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1167.852500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.852500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.852500 (E_RNA)
where:
Base-Base interactions energy: -792.880
where: short stacking energy: -348.868
Base-Backbone interact. energy: -2.469
local terms energy: -372.504275
where:
bonds (distance) C4'-P energy: -69.496
bonds (distance) P-C4' energy: -67.519
flat angles C4'-P-C4' energy: -85.940
flat angles P-C4'-P energy: -43.925
tors. eta vs tors. theta energy: -105.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1025.236450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.236450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.236450 (E_RNA)
where:
Base-Base interactions energy: -699.234
where: short stacking energy: -301.375
Base-Backbone interact. energy: -2.683
local terms energy: -323.319717
where:
bonds (distance) C4'-P energy: -61.429
bonds (distance) P-C4' energy: -67.886
flat angles C4'-P-C4' energy: -80.420
flat angles P-C4'-P energy: -40.019
tors. eta vs tors. theta energy: -73.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -915.814403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.814403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.814403 (E_RNA)
where:
Base-Base interactions energy: -596.724
where: short stacking energy: -261.479
Base-Backbone interact. energy: -2.049
local terms energy: -317.042196
where:
bonds (distance) C4'-P energy: -47.398
bonds (distance) P-C4' energy: -65.740
flat angles C4'-P-C4' energy: -78.806
flat angles P-C4'-P energy: -41.806
tors. eta vs tors. theta energy: -83.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -578.377051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.377051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.377051 (E_RNA)
where:
Base-Base interactions energy: -312.825
where: short stacking energy: -157.644
Base-Backbone interact. energy: -0.696
local terms energy: -264.855754
where:
bonds (distance) C4'-P energy: -64.014
bonds (distance) P-C4' energy: -76.469
flat angles C4'-P-C4' energy: -63.626
flat angles P-C4'-P energy: -35.753
tors. eta vs tors. theta energy: -24.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -411.784942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.784942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.784942 (E_RNA)
where:
Base-Base interactions energy: -181.838
where: short stacking energy: -108.306
Base-Backbone interact. energy: -0.641
local terms energy: -229.306043
where:
bonds (distance) C4'-P energy: -61.556
bonds (distance) P-C4' energy: -72.877
flat angles C4'-P-C4' energy: -63.674
flat angles P-C4'-P energy: -37.108
tors. eta vs tors. theta energy: 5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -313.930415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.930415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.930415 (E_RNA)
where:
Base-Base interactions energy: -105.370
where: short stacking energy: -81.681
Base-Backbone interact. energy: -1.166
local terms energy: -207.393713
where:
bonds (distance) C4'-P energy: -70.457
bonds (distance) P-C4' energy: -60.117
flat angles C4'-P-C4' energy: -61.940
flat angles P-C4'-P energy: -37.793
tors. eta vs tors. theta energy: 22.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1412.008047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.008047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.008047 (E_RNA)
where:
Base-Base interactions energy: -984.984
where: short stacking energy: -399.590
Base-Backbone interact. energy: 0.130
local terms energy: -427.154241
where:
bonds (distance) C4'-P energy: -65.772
bonds (distance) P-C4' energy: -83.461
flat angles C4'-P-C4' energy: -87.573
flat angles P-C4'-P energy: -67.640
tors. eta vs tors. theta energy: -122.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1359.223507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.223507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.223507 (E_RNA)
where:
Base-Base interactions energy: -935.154
where: short stacking energy: -389.881
Base-Backbone interact. energy: -0.626
local terms energy: -423.443473
where:
bonds (distance) C4'-P energy: -77.540
bonds (distance) P-C4' energy: -77.637
flat angles C4'-P-C4' energy: -88.732
flat angles P-C4'-P energy: -58.863
tors. eta vs tors. theta energy: -120.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1318.636512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.636512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.636512 (E_RNA)
where:
Base-Base interactions energy: -897.185
where: short stacking energy: -360.079
Base-Backbone interact. energy: -0.372
local terms energy: -421.079364
where:
bonds (distance) C4'-P energy: -72.758
bonds (distance) P-C4' energy: -84.028
flat angles C4'-P-C4' energy: -85.340
flat angles P-C4'-P energy: -55.652
tors. eta vs tors. theta energy: -123.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1209.544438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.544438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.544438 (E_RNA)
where:
Base-Base interactions energy: -814.821
where: short stacking energy: -358.755
Base-Backbone interact. energy: 0.164
local terms energy: -394.887014
where:
bonds (distance) C4'-P energy: -70.063
bonds (distance) P-C4' energy: -67.744
flat angles C4'-P-C4' energy: -88.219
flat angles P-C4'-P energy: -60.835
tors. eta vs tors. theta energy: -108.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1141.361385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.361385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.361385 (E_RNA)
where:
Base-Base interactions energy: -765.538
where: short stacking energy: -341.529
Base-Backbone interact. energy: -3.087
local terms energy: -372.736356
where:
bonds (distance) C4'-P energy: -63.762
bonds (distance) P-C4' energy: -69.220
flat angles C4'-P-C4' energy: -82.644
flat angles P-C4'-P energy: -60.553
tors. eta vs tors. theta energy: -96.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1009.517539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.517539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.517539 (E_RNA)
where:
Base-Base interactions energy: -668.266
where: short stacking energy: -294.326
Base-Backbone interact. energy: -1.663
local terms energy: -339.588664
where:
bonds (distance) C4'-P energy: -78.957
bonds (distance) P-C4' energy: -60.047
flat angles C4'-P-C4' energy: -65.068
flat angles P-C4'-P energy: -53.022
tors. eta vs tors. theta energy: -82.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -817.120948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.120948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.120948 (E_RNA)
where:
Base-Base interactions energy: -507.365
where: short stacking energy: -210.032
Base-Backbone interact. energy: -0.602
local terms energy: -309.154369
where:
bonds (distance) C4'-P energy: -72.362
bonds (distance) P-C4' energy: -64.996
flat angles C4'-P-C4' energy: -71.727
flat angles P-C4'-P energy: -48.468
tors. eta vs tors. theta energy: -51.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -617.333186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.333186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.333186 (E_RNA)
where:
Base-Base interactions energy: -331.132
where: short stacking energy: -189.854
Base-Backbone interact. energy: -2.116
local terms energy: -284.086007
where:
bonds (distance) C4'-P energy: -65.633
bonds (distance) P-C4' energy: -75.165
flat angles C4'-P-C4' energy: -66.646
flat angles P-C4'-P energy: -31.343
tors. eta vs tors. theta energy: -45.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -442.547322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.547322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.547322 (E_RNA)
where:
Base-Base interactions energy: -187.637
where: short stacking energy: -112.027
Base-Backbone interact. energy: 0.842
local terms energy: -255.752515
where:
bonds (distance) C4'-P energy: -72.770
bonds (distance) P-C4' energy: -75.228
flat angles C4'-P-C4' energy: -70.383
flat angles P-C4'-P energy: -45.355
tors. eta vs tors. theta energy: 7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -332.409499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.409499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.409499 (E_RNA)
where:
Base-Base interactions energy: -113.970
where: short stacking energy: -76.314
Base-Backbone interact. energy: -1.319
local terms energy: -217.120387
where:
bonds (distance) C4'-P energy: -64.033
bonds (distance) P-C4' energy: -75.319
flat angles C4'-P-C4' energy: -75.676
flat angles P-C4'-P energy: -25.950
tors. eta vs tors. theta energy: 23.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1444.934936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.934936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.934936 (E_RNA)
where:
Base-Base interactions energy: -976.920
where: short stacking energy: -410.440
Base-Backbone interact. energy: -3.956
local terms energy: -464.059222
where:
bonds (distance) C4'-P energy: -85.641
bonds (distance) P-C4' energy: -85.077
flat angles C4'-P-C4' energy: -91.562
flat angles P-C4'-P energy: -68.096
tors. eta vs tors. theta energy: -133.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1343.532531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.532531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.532531 (E_RNA)
where:
Base-Base interactions energy: -927.344
where: short stacking energy: -376.765
Base-Backbone interact. energy: -1.585
local terms energy: -414.603043
where:
bonds (distance) C4'-P energy: -75.534
bonds (distance) P-C4' energy: -82.030
flat angles C4'-P-C4' energy: -79.635
flat angles P-C4'-P energy: -54.066
tors. eta vs tors. theta energy: -123.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1338.137078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.137078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.137078 (E_RNA)
where:
Base-Base interactions energy: -907.351
where: short stacking energy: -377.009
Base-Backbone interact. energy: -3.117
local terms energy: -427.668815
where:
bonds (distance) C4'-P energy: -68.934
bonds (distance) P-C4' energy: -86.570
flat angles C4'-P-C4' energy: -83.300
flat angles P-C4'-P energy: -70.206
tors. eta vs tors. theta energy: -118.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1220.927860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.927860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.927860 (E_RNA)
where:
Base-Base interactions energy: -828.954
where: short stacking energy: -345.693
Base-Backbone interact. energy: -0.886
local terms energy: -391.087865
where:
bonds (distance) C4'-P energy: -81.976
bonds (distance) P-C4' energy: -69.779
flat angles C4'-P-C4' energy: -81.467
flat angles P-C4'-P energy: -50.045
tors. eta vs tors. theta energy: -107.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1103.904242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.904242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.904242 (E_RNA)
where:
Base-Base interactions energy: -738.396
where: short stacking energy: -348.345
Base-Backbone interact. energy: -1.883
local terms energy: -363.625493
where:
bonds (distance) C4'-P energy: -79.934
bonds (distance) P-C4' energy: -66.619
flat angles C4'-P-C4' energy: -70.881
flat angles P-C4'-P energy: -42.600
tors. eta vs tors. theta energy: -103.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1011.138060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.138060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.138060 (E_RNA)
where:
Base-Base interactions energy: -669.765
where: short stacking energy: -275.678
Base-Backbone interact. energy: -4.836
local terms energy: -336.537397
where:
bonds (distance) C4'-P energy: -61.340
bonds (distance) P-C4' energy: -67.786
flat angles C4'-P-C4' energy: -76.215
flat angles P-C4'-P energy: -47.722
tors. eta vs tors. theta energy: -83.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -825.180477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.180477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.180477 (E_RNA)
where:
Base-Base interactions energy: -511.637
where: short stacking energy: -234.004
Base-Backbone interact. energy: 0.228
local terms energy: -313.770955
where:
bonds (distance) C4'-P energy: -72.583
bonds (distance) P-C4' energy: -75.231
flat angles C4'-P-C4' energy: -62.493
flat angles P-C4'-P energy: -50.763
tors. eta vs tors. theta energy: -52.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -575.677624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.677624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.677624 (E_RNA)
where:
Base-Base interactions energy: -304.818
where: short stacking energy: -151.498
Base-Backbone interact. energy: 0.948
local terms energy: -271.807660
where:
bonds (distance) C4'-P energy: -69.925
bonds (distance) P-C4' energy: -79.923
flat angles C4'-P-C4' energy: -70.232
flat angles P-C4'-P energy: -30.071
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -468.690921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.690921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.690921 (E_RNA)
where:
Base-Base interactions energy: -246.723
where: short stacking energy: -99.517
Base-Backbone interact. energy: -0.303
local terms energy: -221.664768
where:
bonds (distance) C4'-P energy: -64.903
bonds (distance) P-C4' energy: -73.962
flat angles C4'-P-C4' energy: -42.015
flat angles P-C4'-P energy: -40.741
tors. eta vs tors. theta energy: -0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -327.000481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.000481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.000481 (E_RNA)
where:
Base-Base interactions energy: -123.914
where: short stacking energy: -105.496
Base-Backbone interact. energy: 4.534
local terms energy: -207.620466
where:
bonds (distance) C4'-P energy: -66.115
bonds (distance) P-C4' energy: -66.835
flat angles C4'-P-C4' energy: -58.441
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: 0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1409.159733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.159733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.159733 (E_RNA)
where:
Base-Base interactions energy: -986.076
where: short stacking energy: -396.874
Base-Backbone interact. energy: -3.311
local terms energy: -419.772735
where:
bonds (distance) C4'-P energy: -76.108
bonds (distance) P-C4' energy: -79.957
flat angles C4'-P-C4' energy: -84.100
flat angles P-C4'-P energy: -59.430
tors. eta vs tors. theta energy: -120.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1338.217072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.217072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.217072 (E_RNA)
where:
Base-Base interactions energy: -915.176
where: short stacking energy: -382.175
Base-Backbone interact. energy: -0.830
local terms energy: -422.211131
where:
bonds (distance) C4'-P energy: -84.374
bonds (distance) P-C4' energy: -77.633
flat angles C4'-P-C4' energy: -88.812
flat angles P-C4'-P energy: -54.088
tors. eta vs tors. theta energy: -117.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1349.238730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.238730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.238730 (E_RNA)
where:
Base-Base interactions energy: -922.376
where: short stacking energy: -385.818
Base-Backbone interact. energy: -1.980
local terms energy: -424.882684
where:
bonds (distance) C4'-P energy: -82.521
bonds (distance) P-C4' energy: -69.117
flat angles C4'-P-C4' energy: -87.348
flat angles P-C4'-P energy: -65.466
tors. eta vs tors. theta energy: -120.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1243.365200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.365200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.365200 (E_RNA)
where:
Base-Base interactions energy: -862.394
where: short stacking energy: -346.508
Base-Backbone interact. energy: 0.506
local terms energy: -381.477573
where:
bonds (distance) C4'-P energy: -54.169
bonds (distance) P-C4' energy: -83.415
flat angles C4'-P-C4' energy: -78.732
flat angles P-C4'-P energy: -56.289
tors. eta vs tors. theta energy: -108.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1141.185861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.185861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.185861 (E_RNA)
where:
Base-Base interactions energy: -750.213
where: short stacking energy: -328.398
Base-Backbone interact. energy: -0.442
local terms energy: -390.530195
where:
bonds (distance) C4'-P energy: -72.214
bonds (distance) P-C4' energy: -88.297
flat angles C4'-P-C4' energy: -78.291
flat angles P-C4'-P energy: -53.317
tors. eta vs tors. theta energy: -98.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1077.410239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.410239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.410239 (E_RNA)
where:
Base-Base interactions energy: -731.881
where: short stacking energy: -326.334
Base-Backbone interact. energy: -1.324
local terms energy: -344.206005
where:
bonds (distance) C4'-P energy: -56.749
bonds (distance) P-C4' energy: -67.220
flat angles C4'-P-C4' energy: -71.719
flat angles P-C4'-P energy: -57.083
tors. eta vs tors. theta energy: -91.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -836.817831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.817831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.817831 (E_RNA)
where:
Base-Base interactions energy: -520.258
where: short stacking energy: -231.564
Base-Backbone interact. energy: -1.990
local terms energy: -314.569568
where:
bonds (distance) C4'-P energy: -52.662
bonds (distance) P-C4' energy: -72.096
flat angles C4'-P-C4' energy: -77.107
flat angles P-C4'-P energy: -49.014
tors. eta vs tors. theta energy: -63.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -612.020534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.020534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.020534 (E_RNA)
where:
Base-Base interactions energy: -322.402
where: short stacking energy: -178.125
Base-Backbone interact. energy: 0.730
local terms energy: -290.348241
where:
bonds (distance) C4'-P energy: -70.039
bonds (distance) P-C4' energy: -72.901
flat angles C4'-P-C4' energy: -62.957
flat angles P-C4'-P energy: -48.313
tors. eta vs tors. theta energy: -36.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -454.407502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.407502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.407502 (E_RNA)
where:
Base-Base interactions energy: -233.419
where: short stacking energy: -138.766
Base-Backbone interact. energy: -0.006
local terms energy: -220.981823
where:
bonds (distance) C4'-P energy: -56.085
bonds (distance) P-C4' energy: -69.608
flat angles C4'-P-C4' energy: -55.855
flat angles P-C4'-P energy: -33.998
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -360.502976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.502976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.502976 (E_RNA)
where:
Base-Base interactions energy: -113.482
where: short stacking energy: -86.728
Base-Backbone interact. energy: -2.924
local terms energy: -244.096266
where:
bonds (distance) C4'-P energy: -68.599
bonds (distance) P-C4' energy: -51.406
flat angles C4'-P-C4' energy: -77.782
flat angles P-C4'-P energy: -45.786
tors. eta vs tors. theta energy: -0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1392.913241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.913241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.913241 (E_RNA)
where:
Base-Base interactions energy: -974.703
where: short stacking energy: -399.946
Base-Backbone interact. energy: -1.318
local terms energy: -416.892197
where:
bonds (distance) C4'-P energy: -80.148
bonds (distance) P-C4' energy: -79.139
flat angles C4'-P-C4' energy: -79.974
flat angles P-C4'-P energy: -58.718
tors. eta vs tors. theta energy: -118.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1330.485183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.485183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.485183 (E_RNA)
where:
Base-Base interactions energy: -915.167
where: short stacking energy: -385.407
Base-Backbone interact. energy: -0.467
local terms energy: -414.851143
where:
bonds (distance) C4'-P energy: -72.995
bonds (distance) P-C4' energy: -81.181
flat angles C4'-P-C4' energy: -91.433
flat angles P-C4'-P energy: -57.345
tors. eta vs tors. theta energy: -111.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1345.070619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.070619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.070619 (E_RNA)
where:
Base-Base interactions energy: -927.093
where: short stacking energy: -396.202
Base-Backbone interact. energy: -0.715
local terms energy: -417.262708
where:
bonds (distance) C4'-P energy: -69.466
bonds (distance) P-C4' energy: -72.331
flat angles C4'-P-C4' energy: -89.661
flat angles P-C4'-P energy: -55.732
tors. eta vs tors. theta energy: -130.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1210.914836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.914836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.914836 (E_RNA)
where:
Base-Base interactions energy: -831.933
where: short stacking energy: -355.960
Base-Backbone interact. energy: -0.529
local terms energy: -378.453232
where:
bonds (distance) C4'-P energy: -75.072
bonds (distance) P-C4' energy: -61.057
flat angles C4'-P-C4' energy: -81.836
flat angles P-C4'-P energy: -52.321
tors. eta vs tors. theta energy: -108.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1125.751266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.751266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.751266 (E_RNA)
where:
Base-Base interactions energy: -736.479
where: short stacking energy: -327.930
Base-Backbone interact. energy: -1.589
local terms energy: -387.683558
where:
bonds (distance) C4'-P energy: -73.951
bonds (distance) P-C4' energy: -84.546
flat angles C4'-P-C4' energy: -77.920
flat angles P-C4'-P energy: -56.139
tors. eta vs tors. theta energy: -95.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1063.961253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.961253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.961253 (E_RNA)
where:
Base-Base interactions energy: -703.437
where: short stacking energy: -312.504
Base-Backbone interact. energy: -2.848
local terms energy: -357.676091
where:
bonds (distance) C4'-P energy: -83.997
bonds (distance) P-C4' energy: -70.828
flat angles C4'-P-C4' energy: -71.078
flat angles P-C4'-P energy: -52.599
tors. eta vs tors. theta energy: -79.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -860.082174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.082174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.082174 (E_RNA)
where:
Base-Base interactions energy: -547.802
where: short stacking energy: -233.914
Base-Backbone interact. energy: 8.986
local terms energy: -321.266092
where:
bonds (distance) C4'-P energy: -73.733
bonds (distance) P-C4' energy: -85.741
flat angles C4'-P-C4' energy: -65.478
flat angles P-C4'-P energy: -34.912
tors. eta vs tors. theta energy: -61.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -549.363240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.363240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.363240 (E_RNA)
where:
Base-Base interactions energy: -311.939
where: short stacking energy: -173.873
Base-Backbone interact. energy: 8.550
local terms energy: -245.974177
where:
bonds (distance) C4'-P energy: -53.560
bonds (distance) P-C4' energy: -84.026
flat angles C4'-P-C4' energy: -63.278
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -408.821866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.821866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.821866 (E_RNA)
where:
Base-Base interactions energy: -198.580
where: short stacking energy: -116.384
Base-Backbone interact. energy: -1.676
local terms energy: -208.565479
where:
bonds (distance) C4'-P energy: -71.230
bonds (distance) P-C4' energy: -69.252
flat angles C4'-P-C4' energy: -54.794
flat angles P-C4'-P energy: -37.334
tors. eta vs tors. theta energy: 24.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -331.948294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.948294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.948294 (E_RNA)
where:
Base-Base interactions energy: -126.523
where: short stacking energy: -72.161
Base-Backbone interact. energy: 0.459
local terms energy: -205.884154
where:
bonds (distance) C4'-P energy: -64.256
bonds (distance) P-C4' energy: -75.449
flat angles C4'-P-C4' energy: -55.854
flat angles P-C4'-P energy: -30.449
tors. eta vs tors. theta energy: 20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1391.998802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.998802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.998802 (E_RNA)
where:
Base-Base interactions energy: -965.284
where: short stacking energy: -394.785
Base-Backbone interact. energy: -1.720
local terms energy: -424.994264
where:
bonds (distance) C4'-P energy: -76.444
bonds (distance) P-C4' energy: -79.972
flat angles C4'-P-C4' energy: -87.175
flat angles P-C4'-P energy: -59.062
tors. eta vs tors. theta energy: -122.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1327.599992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.599992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.599992 (E_RNA)
where:
Base-Base interactions energy: -906.832
where: short stacking energy: -381.275
Base-Backbone interact. energy: -1.319
local terms energy: -419.449428
where:
bonds (distance) C4'-P energy: -78.403
bonds (distance) P-C4' energy: -79.513
flat angles C4'-P-C4' energy: -94.331
flat angles P-C4'-P energy: -60.277
tors. eta vs tors. theta energy: -106.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1327.746495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.746495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.746495 (E_RNA)
where:
Base-Base interactions energy: -935.729
where: short stacking energy: -383.769
Base-Backbone interact. energy: -1.467
local terms energy: -390.549696
where:
bonds (distance) C4'-P energy: -73.468
bonds (distance) P-C4' energy: -71.397
flat angles C4'-P-C4' energy: -84.082
flat angles P-C4'-P energy: -45.678
tors. eta vs tors. theta energy: -115.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1220.367523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.367523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.367523 (E_RNA)
where:
Base-Base interactions energy: -818.929
where: short stacking energy: -340.349
Base-Backbone interact. energy: -3.945
local terms energy: -397.493493
where:
bonds (distance) C4'-P energy: -73.461
bonds (distance) P-C4' energy: -75.851
flat angles C4'-P-C4' energy: -87.758
flat angles P-C4'-P energy: -62.019
tors. eta vs tors. theta energy: -98.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1131.922759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.922759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.922759 (E_RNA)
where:
Base-Base interactions energy: -760.168
where: short stacking energy: -346.302
Base-Backbone interact. energy: -1.425
local terms energy: -370.329628
where:
bonds (distance) C4'-P energy: -69.723
bonds (distance) P-C4' energy: -65.865
flat angles C4'-P-C4' energy: -79.422
flat angles P-C4'-P energy: -50.932
tors. eta vs tors. theta energy: -104.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1039.828312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.828312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.828312 (E_RNA)
where:
Base-Base interactions energy: -702.005
where: short stacking energy: -303.789
Base-Backbone interact. energy: 0.042
local terms energy: -337.865845
where:
bonds (distance) C4'-P energy: -80.487
bonds (distance) P-C4' energy: -57.397
flat angles C4'-P-C4' energy: -85.159
flat angles P-C4'-P energy: -37.211
tors. eta vs tors. theta energy: -77.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -895.683535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.683535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.683535 (E_RNA)
where:
Base-Base interactions energy: -552.718
where: short stacking energy: -247.509
Base-Backbone interact. energy: -1.442
local terms energy: -341.524075
where:
bonds (distance) C4'-P energy: -70.847
bonds (distance) P-C4' energy: -71.415
flat angles C4'-P-C4' energy: -75.184
flat angles P-C4'-P energy: -49.973
tors. eta vs tors. theta energy: -74.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -530.440612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.440612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.440612 (E_RNA)
where:
Base-Base interactions energy: -281.859
where: short stacking energy: -135.609
Base-Backbone interact. energy: -0.791
local terms energy: -247.790583
where:
bonds (distance) C4'-P energy: -59.313
bonds (distance) P-C4' energy: -72.063
flat angles C4'-P-C4' energy: -67.146
flat angles P-C4'-P energy: -37.396
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -432.150814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.150814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.150814 (E_RNA)
where:
Base-Base interactions energy: -192.297
where: short stacking energy: -117.576
Base-Backbone interact. energy: 2.877
local terms energy: -242.730625
where:
bonds (distance) C4'-P energy: -66.623
bonds (distance) P-C4' energy: -74.726
flat angles C4'-P-C4' energy: -60.479
flat angles P-C4'-P energy: -39.706
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -309.087268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.087268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.087268 (E_RNA)
where:
Base-Base interactions energy: -115.534
where: short stacking energy: -81.970
Base-Backbone interact. energy: 2.891
local terms energy: -196.444707
where:
bonds (distance) C4'-P energy: -56.263
bonds (distance) P-C4' energy: -67.542
flat angles C4'-P-C4' energy: -58.414
flat angles P-C4'-P energy: -35.604
tors. eta vs tors. theta energy: 21.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1410.776501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.776501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.776501 (E_RNA)
where:
Base-Base interactions energy: -974.432
where: short stacking energy: -409.329
Base-Backbone interact. energy: -2.062
local terms energy: -434.282368
where:
bonds (distance) C4'-P energy: -81.083
bonds (distance) P-C4' energy: -78.463
flat angles C4'-P-C4' energy: -92.002
flat angles P-C4'-P energy: -59.560
tors. eta vs tors. theta energy: -123.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1357.280301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.280301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.280301 (E_RNA)
where:
Base-Base interactions energy: -931.163
where: short stacking energy: -387.922
Base-Backbone interact. energy: -1.491
local terms energy: -424.626542
where:
bonds (distance) C4'-P energy: -77.531
bonds (distance) P-C4' energy: -75.863
flat angles C4'-P-C4' energy: -86.966
flat angles P-C4'-P energy: -67.682
tors. eta vs tors. theta energy: -116.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1332.962266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.962266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.962266 (E_RNA)
where:
Base-Base interactions energy: -921.066
where: short stacking energy: -384.262
Base-Backbone interact. energy: 6.194
local terms energy: -418.091024
where:
bonds (distance) C4'-P energy: -80.109
bonds (distance) P-C4' energy: -77.404
flat angles C4'-P-C4' energy: -83.741
flat angles P-C4'-P energy: -58.565
tors. eta vs tors. theta energy: -118.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1216.228028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.228028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.228028 (E_RNA)
where:
Base-Base interactions energy: -848.139
where: short stacking energy: -353.411
Base-Backbone interact. energy: 1.311
local terms energy: -369.400691
where:
bonds (distance) C4'-P energy: -70.329
bonds (distance) P-C4' energy: -70.934
flat angles C4'-P-C4' energy: -80.063
flat angles P-C4'-P energy: -44.640
tors. eta vs tors. theta energy: -103.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1117.333540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.333540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.333540 (E_RNA)
where:
Base-Base interactions energy: -735.249
where: short stacking energy: -341.533
Base-Backbone interact. energy: -0.672
local terms energy: -381.412164
where:
bonds (distance) C4'-P energy: -66.604
bonds (distance) P-C4' energy: -75.745
flat angles C4'-P-C4' energy: -74.479
flat angles P-C4'-P energy: -62.742
tors. eta vs tors. theta energy: -101.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1065.192673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.192673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.192673 (E_RNA)
where:
Base-Base interactions energy: -703.174
where: short stacking energy: -295.589
Base-Backbone interact. energy: 1.791
local terms energy: -363.809521
where:
bonds (distance) C4'-P energy: -61.503
bonds (distance) P-C4' energy: -79.299
flat angles C4'-P-C4' energy: -83.552
flat angles P-C4'-P energy: -59.880
tors. eta vs tors. theta energy: -79.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -864.901202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.901202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.901202 (E_RNA)
where:
Base-Base interactions energy: -573.698
where: short stacking energy: -253.333
Base-Backbone interact. energy: 7.384
local terms energy: -298.586769
where:
bonds (distance) C4'-P energy: -62.748
bonds (distance) P-C4' energy: -50.120
flat angles C4'-P-C4' energy: -70.477
flat angles P-C4'-P energy: -47.695
tors. eta vs tors. theta energy: -67.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -545.271897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.271897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.271897 (E_RNA)
where:
Base-Base interactions energy: -293.004
where: short stacking energy: -175.920
Base-Backbone interact. energy: -2.529
local terms energy: -249.739027
where:
bonds (distance) C4'-P energy: -79.644
bonds (distance) P-C4' energy: -75.212
flat angles C4'-P-C4' energy: -44.497
flat angles P-C4'-P energy: -33.058
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -426.732266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.732266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.732266 (E_RNA)
where:
Base-Base interactions energy: -184.710
where: short stacking energy: -123.778
Base-Backbone interact. energy: -0.947
local terms energy: -241.075551
where:
bonds (distance) C4'-P energy: -55.160
bonds (distance) P-C4' energy: -78.030
flat angles C4'-P-C4' energy: -62.348
flat angles P-C4'-P energy: -39.428
tors. eta vs tors. theta energy: -6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -315.832151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.832151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.832151 (E_RNA)
where:
Base-Base interactions energy: -101.176
where: short stacking energy: -85.522
Base-Backbone interact. energy: 2.621
local terms energy: -217.276767
where:
bonds (distance) C4'-P energy: -80.876
bonds (distance) P-C4' energy: -84.794
flat angles C4'-P-C4' energy: -45.873
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: 18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1395.619703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.619703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.619703 (E_RNA)
where:
Base-Base interactions energy: -974.979
where: short stacking energy: -408.287
Base-Backbone interact. energy: -0.969
local terms energy: -419.672070
where:
bonds (distance) C4'-P energy: -81.615
bonds (distance) P-C4' energy: -70.155
flat angles C4'-P-C4' energy: -92.968
flat angles P-C4'-P energy: -58.342
tors. eta vs tors. theta energy: -116.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1363.333075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.333075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.333075 (E_RNA)
where:
Base-Base interactions energy: -929.819
where: short stacking energy: -383.230
Base-Backbone interact. energy: -2.346
local terms energy: -431.167344
where:
bonds (distance) C4'-P energy: -78.054
bonds (distance) P-C4' energy: -83.986
flat angles C4'-P-C4' energy: -93.486
flat angles P-C4'-P energy: -53.754
tors. eta vs tors. theta energy: -121.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1330.361638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.361638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.361638 (E_RNA)
where:
Base-Base interactions energy: -911.948
where: short stacking energy: -366.098
Base-Backbone interact. energy: 1.745
local terms energy: -420.157722
where:
bonds (distance) C4'-P energy: -85.330
bonds (distance) P-C4' energy: -75.220
flat angles C4'-P-C4' energy: -92.620
flat angles P-C4'-P energy: -53.102
tors. eta vs tors. theta energy: -113.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1188.934916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.934916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.934916 (E_RNA)
where:
Base-Base interactions energy: -798.647
where: short stacking energy: -344.617
Base-Backbone interact. energy: -2.757
local terms energy: -387.530579
where:
bonds (distance) C4'-P energy: -75.853
bonds (distance) P-C4' energy: -71.771
flat angles C4'-P-C4' energy: -82.366
flat angles P-C4'-P energy: -55.289
tors. eta vs tors. theta energy: -102.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1081.996004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.996004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.996004 (E_RNA)
where:
Base-Base interactions energy: -718.566
where: short stacking energy: -277.722
Base-Backbone interact. energy: -2.564
local terms energy: -360.866193
where:
bonds (distance) C4'-P energy: -73.988
bonds (distance) P-C4' energy: -76.074
flat angles C4'-P-C4' energy: -84.376
flat angles P-C4'-P energy: -52.431
tors. eta vs tors. theta energy: -73.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1042.229282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.229282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.229282 (E_RNA)
where:
Base-Base interactions energy: -679.186
where: short stacking energy: -307.292
Base-Backbone interact. energy: -1.219
local terms energy: -361.824682
where:
bonds (distance) C4'-P energy: -69.053
bonds (distance) P-C4' energy: -85.334
flat angles C4'-P-C4' energy: -75.475
flat angles P-C4'-P energy: -40.512
tors. eta vs tors. theta energy: -91.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -883.304375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.304375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.304375 (E_RNA)
where:
Base-Base interactions energy: -563.921
where: short stacking energy: -254.317
Base-Backbone interact. energy: -0.197
local terms energy: -319.187155
where:
bonds (distance) C4'-P energy: -57.438
bonds (distance) P-C4' energy: -65.091
flat angles C4'-P-C4' energy: -72.850
flat angles P-C4'-P energy: -43.164
tors. eta vs tors. theta energy: -80.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -528.212114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.212114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.212114 (E_RNA)
where:
Base-Base interactions energy: -273.325
where: short stacking energy: -161.241
Base-Backbone interact. energy: 3.108
local terms energy: -257.995136
where:
bonds (distance) C4'-P energy: -71.549
bonds (distance) P-C4' energy: -70.974
flat angles C4'-P-C4' energy: -56.691
flat angles P-C4'-P energy: -37.904
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -435.128318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.128318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.128318 (E_RNA)
where:
Base-Base interactions energy: -212.819
where: short stacking energy: -130.606
Base-Backbone interact. energy: -2.675
local terms energy: -219.634706
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -66.966
flat angles C4'-P-C4' energy: -68.415
flat angles P-C4'-P energy: -34.517
tors. eta vs tors. theta energy: 6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -319.078671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.078671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.078671 (E_RNA)
where:
Base-Base interactions energy: -81.997
where: short stacking energy: -76.777
Base-Backbone interact. energy: -0.751
local terms energy: -236.330518
where:
bonds (distance) C4'-P energy: -62.788
bonds (distance) P-C4' energy: -74.400
flat angles C4'-P-C4' energy: -59.567
flat angles P-C4'-P energy: -41.553
tors. eta vs tors. theta energy: 1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1401.499034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.499034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.499034 (E_RNA)
where:
Base-Base interactions energy: -947.885
where: short stacking energy: -387.628
Base-Backbone interact. energy: -1.260
local terms energy: -452.354513
where:
bonds (distance) C4'-P energy: -87.155
bonds (distance) P-C4' energy: -87.467
flat angles C4'-P-C4' energy: -95.454
flat angles P-C4'-P energy: -65.669
tors. eta vs tors. theta energy: -116.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1371.163806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.163806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.163806 (E_RNA)
where:
Base-Base interactions energy: -951.743
where: short stacking energy: -400.710
Base-Backbone interact. energy: -0.876
local terms energy: -418.545186
where:
bonds (distance) C4'-P energy: -76.979
bonds (distance) P-C4' energy: -74.283
flat angles C4'-P-C4' energy: -91.962
flat angles P-C4'-P energy: -58.018
tors. eta vs tors. theta energy: -117.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1336.771689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.771689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.771689 (E_RNA)
where:
Base-Base interactions energy: -940.099
where: short stacking energy: -376.382
Base-Backbone interact. energy: 1.209
local terms energy: -397.881863
where:
bonds (distance) C4'-P energy: -67.125
bonds (distance) P-C4' energy: -76.822
flat angles C4'-P-C4' energy: -84.515
flat angles P-C4'-P energy: -53.384
tors. eta vs tors. theta energy: -116.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1165.311916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.311916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.311916 (E_RNA)
where:
Base-Base interactions energy: -813.588
where: short stacking energy: -327.767
Base-Backbone interact. energy: -0.986
local terms energy: -350.738216
where:
bonds (distance) C4'-P energy: -70.897
bonds (distance) P-C4' energy: -64.230
flat angles C4'-P-C4' energy: -87.403
flat angles P-C4'-P energy: -41.264
tors. eta vs tors. theta energy: -86.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1157.245801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.245801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.245801 (E_RNA)
where:
Base-Base interactions energy: -792.027
where: short stacking energy: -330.812
Base-Backbone interact. energy: -0.979
local terms energy: -364.239342
where:
bonds (distance) C4'-P energy: -68.725
bonds (distance) P-C4' energy: -81.985
flat angles C4'-P-C4' energy: -74.477
flat angles P-C4'-P energy: -47.998
tors. eta vs tors. theta energy: -91.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1015.248123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.248123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.248123 (E_RNA)
where:
Base-Base interactions energy: -641.729
where: short stacking energy: -283.861
Base-Backbone interact. energy: -1.493
local terms energy: -372.025989
where:
bonds (distance) C4'-P energy: -70.666
bonds (distance) P-C4' energy: -74.370
flat angles C4'-P-C4' energy: -78.419
flat angles P-C4'-P energy: -64.102
tors. eta vs tors. theta energy: -84.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -908.780901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.780901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.780901 (E_RNA)
where:
Base-Base interactions energy: -585.504
where: short stacking energy: -286.661
Base-Backbone interact. energy: 1.010
local terms energy: -324.286252
where:
bonds (distance) C4'-P energy: -51.399
bonds (distance) P-C4' energy: -74.166
flat angles C4'-P-C4' energy: -82.024
flat angles P-C4'-P energy: -37.536
tors. eta vs tors. theta energy: -79.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -527.158847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.158847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.158847 (E_RNA)
where:
Base-Base interactions energy: -295.204
where: short stacking energy: -164.432
Base-Backbone interact. energy: -2.024
local terms energy: -229.931264
where:
bonds (distance) C4'-P energy: -67.931
bonds (distance) P-C4' energy: -52.010
flat angles C4'-P-C4' energy: -53.722
flat angles P-C4'-P energy: -44.393
tors. eta vs tors. theta energy: -11.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -442.822935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.822935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.822935 (E_RNA)
where:
Base-Base interactions energy: -228.847
where: short stacking energy: -117.702
Base-Backbone interact. energy: -1.331
local terms energy: -212.645272
where:
bonds (distance) C4'-P energy: -52.419
bonds (distance) P-C4' energy: -78.803
flat angles C4'-P-C4' energy: -53.146
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: 8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -305.232996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.232996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.232996 (E_RNA)
where:
Base-Base interactions energy: -112.143
where: short stacking energy: -87.381
Base-Backbone interact. energy: -0.044
local terms energy: -193.046096
where:
bonds (distance) C4'-P energy: -51.834
bonds (distance) P-C4' energy: -72.439
flat angles C4'-P-C4' energy: -52.506
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: 19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1404.923465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.923465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.923465 (E_RNA)
where:
Base-Base interactions energy: -951.420
where: short stacking energy: -413.801
Base-Backbone interact. energy: -2.835
local terms energy: -450.669224
where:
bonds (distance) C4'-P energy: -76.336
bonds (distance) P-C4' energy: -85.940
flat angles C4'-P-C4' energy: -97.823
flat angles P-C4'-P energy: -68.384
tors. eta vs tors. theta energy: -122.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1397.487355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.487355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.487355 (E_RNA)
where:
Base-Base interactions energy: -976.302
where: short stacking energy: -400.417
Base-Backbone interact. energy: -2.282
local terms energy: -418.903144
where:
bonds (distance) C4'-P energy: -66.815
bonds (distance) P-C4' energy: -74.818
flat angles C4'-P-C4' energy: -85.146
flat angles P-C4'-P energy: -68.993
tors. eta vs tors. theta energy: -123.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1338.523974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.523974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.523974 (E_RNA)
where:
Base-Base interactions energy: -922.431
where: short stacking energy: -400.457
Base-Backbone interact. energy: -1.474
local terms energy: -414.618394
where:
bonds (distance) C4'-P energy: -82.659
bonds (distance) P-C4' energy: -66.112
flat angles C4'-P-C4' energy: -89.841
flat angles P-C4'-P energy: -51.970
tors. eta vs tors. theta energy: -124.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1200.729096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.729096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.729096 (E_RNA)
where:
Base-Base interactions energy: -832.902
where: short stacking energy: -344.363
Base-Backbone interact. energy: 0.166
local terms energy: -367.993125
where:
bonds (distance) C4'-P energy: -67.361
bonds (distance) P-C4' energy: -74.459
flat angles C4'-P-C4' energy: -77.042
flat angles P-C4'-P energy: -53.033
tors. eta vs tors. theta energy: -96.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1160.839978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.839978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.839978 (E_RNA)
where:
Base-Base interactions energy: -764.237
where: short stacking energy: -332.172
Base-Backbone interact. energy: -0.302
local terms energy: -396.301394
where:
bonds (distance) C4'-P energy: -73.476
bonds (distance) P-C4' energy: -76.981
flat angles C4'-P-C4' energy: -84.834
flat angles P-C4'-P energy: -52.645
tors. eta vs tors. theta energy: -108.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1051.210670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.210670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.210670 (E_RNA)
where:
Base-Base interactions energy: -701.695
where: short stacking energy: -311.909
Base-Backbone interact. energy: 0.370
local terms energy: -349.886141
where:
bonds (distance) C4'-P energy: -52.817
bonds (distance) P-C4' energy: -72.025
flat angles C4'-P-C4' energy: -80.965
flat angles P-C4'-P energy: -55.452
tors. eta vs tors. theta energy: -88.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -907.584498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.584498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.584498 (E_RNA)
where:
Base-Base interactions energy: -588.285
where: short stacking energy: -270.565
Base-Backbone interact. energy: -2.137
local terms energy: -317.162414
where:
bonds (distance) C4'-P energy: -62.058
bonds (distance) P-C4' energy: -69.261
flat angles C4'-P-C4' energy: -70.864
flat angles P-C4'-P energy: -37.445
tors. eta vs tors. theta energy: -77.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -530.955089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.955089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.955089 (E_RNA)
where:
Base-Base interactions energy: -279.934
where: short stacking energy: -145.105
Base-Backbone interact. energy: -3.337
local terms energy: -247.684015
where:
bonds (distance) C4'-P energy: -66.622
bonds (distance) P-C4' energy: -77.012
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -36.093
tors. eta vs tors. theta energy: -9.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -419.941910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.941910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.941910 (E_RNA)
where:
Base-Base interactions energy: -201.655
where: short stacking energy: -99.399
Base-Backbone interact. energy: -1.302
local terms energy: -216.984932
where:
bonds (distance) C4'-P energy: -57.869
bonds (distance) P-C4' energy: -73.816
flat angles C4'-P-C4' energy: -51.631
flat angles P-C4'-P energy: -40.579
tors. eta vs tors. theta energy: 6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -316.726698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.726698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.726698 (E_RNA)
where:
Base-Base interactions energy: -117.054
where: short stacking energy: -97.541
Base-Backbone interact. energy: -1.188
local terms energy: -198.485306
where:
bonds (distance) C4'-P energy: -56.211
bonds (distance) P-C4' energy: -65.827
flat angles C4'-P-C4' energy: -61.890
flat angles P-C4'-P energy: -34.429
tors. eta vs tors. theta energy: 19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1404.951124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.951124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.951124 (E_RNA)
where:
Base-Base interactions energy: -970.178
where: short stacking energy: -402.751
Base-Backbone interact. energy: -1.577
local terms energy: -433.196326
where:
bonds (distance) C4'-P energy: -72.864
bonds (distance) P-C4' energy: -81.338
flat angles C4'-P-C4' energy: -93.453
flat angles P-C4'-P energy: -65.262
tors. eta vs tors. theta energy: -120.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1400.133868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.133868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.133868 (E_RNA)
where:
Base-Base interactions energy: -966.825
where: short stacking energy: -404.252
Base-Backbone interact. energy: -2.701
local terms energy: -430.608806
where:
bonds (distance) C4'-P energy: -87.531
bonds (distance) P-C4' energy: -82.376
flat angles C4'-P-C4' energy: -83.616
flat angles P-C4'-P energy: -48.920
tors. eta vs tors. theta energy: -128.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1298.643505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.643505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.643505 (E_RNA)
where:
Base-Base interactions energy: -895.098
where: short stacking energy: -370.787
Base-Backbone interact. energy: -1.744
local terms energy: -401.801324
where:
bonds (distance) C4'-P energy: -66.624
bonds (distance) P-C4' energy: -70.764
flat angles C4'-P-C4' energy: -86.636
flat angles P-C4'-P energy: -62.955
tors. eta vs tors. theta energy: -114.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1228.489694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.489694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.489694 (E_RNA)
where:
Base-Base interactions energy: -842.488
where: short stacking energy: -360.584
Base-Backbone interact. energy: 2.258
local terms energy: -388.259058
where:
bonds (distance) C4'-P energy: -74.751
bonds (distance) P-C4' energy: -80.675
flat angles C4'-P-C4' energy: -77.218
flat angles P-C4'-P energy: -43.954
tors. eta vs tors. theta energy: -111.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1107.711032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.711032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.711032 (E_RNA)
where:
Base-Base interactions energy: -731.357
where: short stacking energy: -321.338
Base-Backbone interact. energy: -1.455
local terms energy: -374.898874
where:
bonds (distance) C4'-P energy: -76.828
bonds (distance) P-C4' energy: -80.425
flat angles C4'-P-C4' energy: -82.575
flat angles P-C4'-P energy: -43.974
tors. eta vs tors. theta energy: -91.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1057.121559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.121559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.121559 (E_RNA)
where:
Base-Base interactions energy: -701.626
where: short stacking energy: -303.916
Base-Backbone interact. energy: -0.530
local terms energy: -354.966035
where:
bonds (distance) C4'-P energy: -56.899
bonds (distance) P-C4' energy: -76.152
flat angles C4'-P-C4' energy: -78.377
flat angles P-C4'-P energy: -60.897
tors. eta vs tors. theta energy: -82.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -923.691360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.691360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.691360 (E_RNA)
where:
Base-Base interactions energy: -593.097
where: short stacking energy: -275.513
Base-Backbone interact. energy: -1.764
local terms energy: -328.830067
where:
bonds (distance) C4'-P energy: -62.867
bonds (distance) P-C4' energy: -59.832
flat angles C4'-P-C4' energy: -79.645
flat angles P-C4'-P energy: -48.642
tors. eta vs tors. theta energy: -77.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -528.758428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.758428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.758428 (E_RNA)
where:
Base-Base interactions energy: -283.866
where: short stacking energy: -152.951
Base-Backbone interact. energy: -1.003
local terms energy: -243.889779
where:
bonds (distance) C4'-P energy: -66.917
bonds (distance) P-C4' energy: -67.764
flat angles C4'-P-C4' energy: -69.818
flat angles P-C4'-P energy: -30.938
tors. eta vs tors. theta energy: -8.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -407.456047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.456047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.456047 (E_RNA)
where:
Base-Base interactions energy: -189.827
where: short stacking energy: -107.565
Base-Backbone interact. energy: 1.914
local terms energy: -219.543060
where:
bonds (distance) C4'-P energy: -58.202
bonds (distance) P-C4' energy: -62.527
flat angles C4'-P-C4' energy: -57.524
flat angles P-C4'-P energy: -38.056
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -355.151106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.151106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.151106 (E_RNA)
where:
Base-Base interactions energy: -120.583
where: short stacking energy: -102.398
Base-Backbone interact. energy: 0.531
local terms energy: -235.099026
where:
bonds (distance) C4'-P energy: -68.381
bonds (distance) P-C4' energy: -68.637
flat angles C4'-P-C4' energy: -62.162
flat angles P-C4'-P energy: -25.150
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1402.423174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.423174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.423174 (E_RNA)
where:
Base-Base interactions energy: -955.466
where: short stacking energy: -395.515
Base-Backbone interact. energy: -0.108
local terms energy: -446.849080
where:
bonds (distance) C4'-P energy: -82.328
bonds (distance) P-C4' energy: -86.341
flat angles C4'-P-C4' energy: -97.002
flat angles P-C4'-P energy: -59.139
tors. eta vs tors. theta energy: -122.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1348.715392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.715392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.715392 (E_RNA)
where:
Base-Base interactions energy: -935.043
where: short stacking energy: -385.639
Base-Backbone interact. energy: 0.625
local terms energy: -414.296984
where:
bonds (distance) C4'-P energy: -79.616
bonds (distance) P-C4' energy: -80.324
flat angles C4'-P-C4' energy: -84.778
flat angles P-C4'-P energy: -52.622
tors. eta vs tors. theta energy: -116.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1325.044574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.044574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.044574 (E_RNA)
where:
Base-Base interactions energy: -908.938
where: short stacking energy: -369.371
Base-Backbone interact. energy: 3.128
local terms energy: -419.234420
where:
bonds (distance) C4'-P energy: -68.043
bonds (distance) P-C4' energy: -83.199
flat angles C4'-P-C4' energy: -92.181
flat angles P-C4'-P energy: -60.933
tors. eta vs tors. theta energy: -114.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1257.125333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.125333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.125333 (E_RNA)
where:
Base-Base interactions energy: -845.516
where: short stacking energy: -349.687
Base-Backbone interact. energy: -1.454
local terms energy: -410.155997
where:
bonds (distance) C4'-P energy: -82.649
bonds (distance) P-C4' energy: -81.711
flat angles C4'-P-C4' energy: -85.773
flat angles P-C4'-P energy: -53.159
tors. eta vs tors. theta energy: -106.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1117.230571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.230571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.230571 (E_RNA)
where:
Base-Base interactions energy: -742.264
where: short stacking energy: -316.515
Base-Backbone interact. energy: 1.262
local terms energy: -376.228167
where:
bonds (distance) C4'-P energy: -77.086
bonds (distance) P-C4' energy: -73.466
flat angles C4'-P-C4' energy: -67.136
flat angles P-C4'-P energy: -60.960
tors. eta vs tors. theta energy: -97.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1067.269540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.269540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.269540 (E_RNA)
where:
Base-Base interactions energy: -732.911
where: short stacking energy: -309.184
Base-Backbone interact. energy: -1.544
local terms energy: -332.815257
where:
bonds (distance) C4'-P energy: -73.013
bonds (distance) P-C4' energy: -70.365
flat angles C4'-P-C4' energy: -70.484
flat angles P-C4'-P energy: -37.508
tors. eta vs tors. theta energy: -81.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -882.147656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.147656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.147656 (E_RNA)
where:
Base-Base interactions energy: -575.643
where: short stacking energy: -259.123
Base-Backbone interact. energy: -0.850
local terms energy: -305.654277
where:
bonds (distance) C4'-P energy: -57.147
bonds (distance) P-C4' energy: -80.054
flat angles C4'-P-C4' energy: -61.306
flat angles P-C4'-P energy: -39.116
tors. eta vs tors. theta energy: -68.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -560.656857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.656857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.656857 (E_RNA)
where:
Base-Base interactions energy: -294.569
where: short stacking energy: -157.980
Base-Backbone interact. energy: -2.583
local terms energy: -263.504226
where:
bonds (distance) C4'-P energy: -78.740
bonds (distance) P-C4' energy: -52.109
flat angles C4'-P-C4' energy: -70.695
flat angles P-C4'-P energy: -32.824
tors. eta vs tors. theta energy: -29.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -452.627296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.627296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.627296 (E_RNA)
where:
Base-Base interactions energy: -223.762
where: short stacking energy: -154.609
Base-Backbone interact. energy: -0.063
local terms energy: -228.802631
where:
bonds (distance) C4'-P energy: -74.819
bonds (distance) P-C4' energy: -56.422
flat angles C4'-P-C4' energy: -53.964
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -317.909797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.909797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.909797 (E_RNA)
where:
Base-Base interactions energy: -116.744
where: short stacking energy: -107.132
Base-Backbone interact. energy: -2.743
local terms energy: -198.422861
where:
bonds (distance) C4'-P energy: -60.841
bonds (distance) P-C4' energy: -67.562
flat angles C4'-P-C4' energy: -51.403
flat angles P-C4'-P energy: -28.530
tors. eta vs tors. theta energy: 9.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1385.853944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.853944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.853944 (E_RNA)
where:
Base-Base interactions energy: -957.318
where: short stacking energy: -391.137
Base-Backbone interact. energy: -0.598
local terms energy: -427.937330
where:
bonds (distance) C4'-P energy: -77.559
bonds (distance) P-C4' energy: -87.690
flat angles C4'-P-C4' energy: -90.371
flat angles P-C4'-P energy: -56.458
tors. eta vs tors. theta energy: -115.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1357.384831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.384831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.384831 (E_RNA)
where:
Base-Base interactions energy: -942.954
where: short stacking energy: -371.623
Base-Backbone interact. energy: 0.356
local terms energy: -414.786232
where:
bonds (distance) C4'-P energy: -80.584
bonds (distance) P-C4' energy: -80.289
flat angles C4'-P-C4' energy: -88.669
flat angles P-C4'-P energy: -52.282
tors. eta vs tors. theta energy: -112.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1343.648995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.648995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.648995 (E_RNA)
where:
Base-Base interactions energy: -906.503
where: short stacking energy: -381.817
Base-Backbone interact. energy: -1.980
local terms energy: -435.165712
where:
bonds (distance) C4'-P energy: -77.274
bonds (distance) P-C4' energy: -79.018
flat angles C4'-P-C4' energy: -96.788
flat angles P-C4'-P energy: -57.625
tors. eta vs tors. theta energy: -124.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1231.321378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.321378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.321378 (E_RNA)
where:
Base-Base interactions energy: -842.149
where: short stacking energy: -364.396
Base-Backbone interact. energy: -0.766
local terms energy: -388.406489
where:
bonds (distance) C4'-P energy: -75.995
bonds (distance) P-C4' energy: -68.217
flat angles C4'-P-C4' energy: -66.572
flat angles P-C4'-P energy: -69.951
tors. eta vs tors. theta energy: -107.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1144.208659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.208659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.208659 (E_RNA)
where:
Base-Base interactions energy: -776.693
where: short stacking energy: -352.804
Base-Backbone interact. energy: -3.861
local terms energy: -363.654617
where:
bonds (distance) C4'-P energy: -72.509
bonds (distance) P-C4' energy: -56.055
flat angles C4'-P-C4' energy: -87.985
flat angles P-C4'-P energy: -39.752
tors. eta vs tors. theta energy: -107.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1070.209593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.209593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.209593 (E_RNA)
where:
Base-Base interactions energy: -731.684
where: short stacking energy: -279.691
Base-Backbone interact. energy: 2.004
local terms energy: -340.529883
where:
bonds (distance) C4'-P energy: -74.170
bonds (distance) P-C4' energy: -68.824
flat angles C4'-P-C4' energy: -78.373
flat angles P-C4'-P energy: -49.947
tors. eta vs tors. theta energy: -69.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -889.366757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.366757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.366757 (E_RNA)
where:
Base-Base interactions energy: -566.329
where: short stacking energy: -288.710
Base-Backbone interact. energy: -1.936
local terms energy: -321.101347
where:
bonds (distance) C4'-P energy: -68.347
bonds (distance) P-C4' energy: -63.225
flat angles C4'-P-C4' energy: -72.798
flat angles P-C4'-P energy: -36.913
tors. eta vs tors. theta energy: -79.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -535.765732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.765732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.765732 (E_RNA)
where:
Base-Base interactions energy: -265.089
where: short stacking energy: -146.893
Base-Backbone interact. energy: 0.016
local terms energy: -270.692105
where:
bonds (distance) C4'-P energy: -78.282
bonds (distance) P-C4' energy: -64.888
flat angles C4'-P-C4' energy: -64.071
flat angles P-C4'-P energy: -40.579
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -453.786741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.786741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.786741 (E_RNA)
where:
Base-Base interactions energy: -212.442
where: short stacking energy: -118.674
Base-Backbone interact. energy: -0.288
local terms energy: -241.056492
where:
bonds (distance) C4'-P energy: -70.382
bonds (distance) P-C4' energy: -73.079
flat angles C4'-P-C4' energy: -57.677
flat angles P-C4'-P energy: -30.671
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -300.878643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.878643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.878643 (E_RNA)
where:
Base-Base interactions energy: -121.299
where: short stacking energy: -98.310
Base-Backbone interact. energy: 3.991
local terms energy: -183.570984
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -75.050
flat angles C4'-P-C4' energy: -59.136
flat angles P-C4'-P energy: -36.263
tors. eta vs tors. theta energy: 23.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1412.923898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.923898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.923898 (E_RNA)
where:
Base-Base interactions energy: -974.193
where: short stacking energy: -419.107
Base-Backbone interact. energy: -0.684
local terms energy: -438.046783
where:
bonds (distance) C4'-P energy: -79.047
bonds (distance) P-C4' energy: -78.538
flat angles C4'-P-C4' energy: -93.711
flat angles P-C4'-P energy: -62.346
tors. eta vs tors. theta energy: -124.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1342.817008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.817008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.817008 (E_RNA)
where:
Base-Base interactions energy: -925.920
where: short stacking energy: -370.998
Base-Backbone interact. energy: -1.432
local terms energy: -415.465048
where:
bonds (distance) C4'-P energy: -81.750
bonds (distance) P-C4' energy: -69.136
flat angles C4'-P-C4' energy: -85.193
flat angles P-C4'-P energy: -66.058
tors. eta vs tors. theta energy: -113.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1312.803660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.803660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.803660 (E_RNA)
where:
Base-Base interactions energy: -917.368
where: short stacking energy: -391.802
Base-Backbone interact. energy: 2.214
local terms energy: -397.650119
where:
bonds (distance) C4'-P energy: -69.550
bonds (distance) P-C4' energy: -72.084
flat angles C4'-P-C4' energy: -91.782
flat angles P-C4'-P energy: -52.592
tors. eta vs tors. theta energy: -111.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1231.400291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.400291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.400291 (E_RNA)
where:
Base-Base interactions energy: -845.937
where: short stacking energy: -351.983
Base-Backbone interact. energy: -3.241
local terms energy: -382.222902
where:
bonds (distance) C4'-P energy: -69.955
bonds (distance) P-C4' energy: -80.452
flat angles C4'-P-C4' energy: -74.934
flat angles P-C4'-P energy: -53.031
tors. eta vs tors. theta energy: -103.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1128.530073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.530073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.530073 (E_RNA)
where:
Base-Base interactions energy: -778.259
where: short stacking energy: -323.439
Base-Backbone interact. energy: 0.394
local terms energy: -350.665166
where:
bonds (distance) C4'-P energy: -69.819
bonds (distance) P-C4' energy: -66.479
flat angles C4'-P-C4' energy: -74.549
flat angles P-C4'-P energy: -52.499
tors. eta vs tors. theta energy: -87.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1123.043509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.043509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.043509 (E_RNA)
where:
Base-Base interactions energy: -767.878
where: short stacking energy: -321.189
Base-Backbone interact. energy: 0.225
local terms energy: -355.390597
where:
bonds (distance) C4'-P energy: -64.635
bonds (distance) P-C4' energy: -71.264
flat angles C4'-P-C4' energy: -84.277
flat angles P-C4'-P energy: -38.643
tors. eta vs tors. theta energy: -96.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -855.358787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.358787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.358787 (E_RNA)
where:
Base-Base interactions energy: -520.288
where: short stacking energy: -244.155
Base-Backbone interact. energy: -0.119
local terms energy: -334.951404
where:
bonds (distance) C4'-P energy: -75.167
bonds (distance) P-C4' energy: -66.680
flat angles C4'-P-C4' energy: -75.506
flat angles P-C4'-P energy: -49.259
tors. eta vs tors. theta energy: -68.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -519.315906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.315906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.315906 (E_RNA)
where:
Base-Base interactions energy: -278.968
where: short stacking energy: -132.210
Base-Backbone interact. energy: -0.522
local terms energy: -239.825608
where:
bonds (distance) C4'-P energy: -69.237
bonds (distance) P-C4' energy: -63.259
flat angles C4'-P-C4' energy: -59.432
flat angles P-C4'-P energy: -42.713
tors. eta vs tors. theta energy: -5.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -352.377314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.377314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.377314 (E_RNA)
where:
Base-Base interactions energy: -138.645
where: short stacking energy: -102.460
Base-Backbone interact. energy: -1.248
local terms energy: -212.484554
where:
bonds (distance) C4'-P energy: -65.273
bonds (distance) P-C4' energy: -67.668
flat angles C4'-P-C4' energy: -61.631
flat angles P-C4'-P energy: -29.662
tors. eta vs tors. theta energy: 11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -430.218797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.218797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.218797 (E_RNA)
where:
Base-Base interactions energy: -225.521
where: short stacking energy: -100.798
Base-Backbone interact. energy: -2.951
local terms energy: -201.747050
where:
bonds (distance) C4'-P energy: -53.590
bonds (distance) P-C4' energy: -70.636
flat angles C4'-P-C4' energy: -40.591
flat angles P-C4'-P energy: -32.521
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1402.679581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.679581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.679581 (E_RNA)
where:
Base-Base interactions energy: -965.260
where: short stacking energy: -406.666
Base-Backbone interact. energy: 3.272
local terms energy: -440.691432
where:
bonds (distance) C4'-P energy: -74.558
bonds (distance) P-C4' energy: -86.332
flat angles C4'-P-C4' energy: -92.514
flat angles P-C4'-P energy: -57.262
tors. eta vs tors. theta energy: -130.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1321.182581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.182581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.182581 (E_RNA)
where:
Base-Base interactions energy: -917.452
where: short stacking energy: -392.093
Base-Backbone interact. energy: -0.163
local terms energy: -403.567152
where:
bonds (distance) C4'-P energy: -75.123
bonds (distance) P-C4' energy: -64.829
flat angles C4'-P-C4' energy: -91.183
flat angles P-C4'-P energy: -63.094
tors. eta vs tors. theta energy: -109.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1323.712299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.712299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.712299 (E_RNA)
where:
Base-Base interactions energy: -906.902
where: short stacking energy: -377.804
Base-Backbone interact. energy: -1.235
local terms energy: -415.575167
where:
bonds (distance) C4'-P energy: -76.508
bonds (distance) P-C4' energy: -75.751
flat angles C4'-P-C4' energy: -83.242
flat angles P-C4'-P energy: -56.448
tors. eta vs tors. theta energy: -123.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1227.514076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.514076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.514076 (E_RNA)
where:
Base-Base interactions energy: -843.877
where: short stacking energy: -347.540
Base-Backbone interact. energy: -2.328
local terms energy: -381.309082
where:
bonds (distance) C4'-P energy: -76.040
bonds (distance) P-C4' energy: -63.875
flat angles C4'-P-C4' energy: -80.981
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: -109.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1113.040570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.040570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.040570 (E_RNA)
where:
Base-Base interactions energy: -753.866
where: short stacking energy: -324.816
Base-Backbone interact. energy: -1.335
local terms energy: -357.840115
where:
bonds (distance) C4'-P energy: -63.072
bonds (distance) P-C4' energy: -69.010
flat angles C4'-P-C4' energy: -82.107
flat angles P-C4'-P energy: -52.157
tors. eta vs tors. theta energy: -91.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1144.070355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.070355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.070355 (E_RNA)
where:
Base-Base interactions energy: -798.320
where: short stacking energy: -317.259
Base-Backbone interact. energy: 0.315
local terms energy: -346.065064
where:
bonds (distance) C4'-P energy: -59.268
bonds (distance) P-C4' energy: -74.994
flat angles C4'-P-C4' energy: -66.275
flat angles P-C4'-P energy: -51.576
tors. eta vs tors. theta energy: -93.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -912.699931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.699931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.699931 (E_RNA)
where:
Base-Base interactions energy: -570.100
where: short stacking energy: -246.687
Base-Backbone interact. energy: -1.302
local terms energy: -341.298440
where:
bonds (distance) C4'-P energy: -73.337
bonds (distance) P-C4' energy: -71.456
flat angles C4'-P-C4' energy: -81.065
flat angles P-C4'-P energy: -37.281
tors. eta vs tors. theta energy: -78.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -547.450833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.450833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.450833 (E_RNA)
where:
Base-Base interactions energy: -296.870
where: short stacking energy: -157.818
Base-Backbone interact. energy: -3.471
local terms energy: -247.110448
where:
bonds (distance) C4'-P energy: -52.056
bonds (distance) P-C4' energy: -69.764
flat angles C4'-P-C4' energy: -64.519
flat angles P-C4'-P energy: -43.037
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -420.185496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.185496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.185496 (E_RNA)
where:
Base-Base interactions energy: -200.396
where: short stacking energy: -94.258
Base-Backbone interact. energy: -2.212
local terms energy: -217.577650
where:
bonds (distance) C4'-P energy: -68.509
bonds (distance) P-C4' energy: -74.216
flat angles C4'-P-C4' energy: -40.046
flat angles P-C4'-P energy: -28.487
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -464.250290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.250290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.250290 (E_RNA)
where:
Base-Base interactions energy: -230.041
where: short stacking energy: -109.415
Base-Backbone interact. energy: 1.814
local terms energy: -236.023496
where:
bonds (distance) C4'-P energy: -67.501
bonds (distance) P-C4' energy: -74.255
flat angles C4'-P-C4' energy: -64.006
flat angles P-C4'-P energy: -45.062
tors. eta vs tors. theta energy: 14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1406.182713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.182713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.182713 (E_RNA)
where:
Base-Base interactions energy: -981.427
where: short stacking energy: -406.254
Base-Backbone interact. energy: -1.625
local terms energy: -423.130602
where:
bonds (distance) C4'-P energy: -81.555
bonds (distance) P-C4' energy: -76.206
flat angles C4'-P-C4' energy: -87.679
flat angles P-C4'-P energy: -54.363
tors. eta vs tors. theta energy: -123.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1313.913528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.913528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.913528 (E_RNA)
where:
Base-Base interactions energy: -912.905
where: short stacking energy: -389.219
Base-Backbone interact. energy: -0.831
local terms energy: -400.177902
where:
bonds (distance) C4'-P energy: -76.327
bonds (distance) P-C4' energy: -77.493
flat angles C4'-P-C4' energy: -80.594
flat angles P-C4'-P energy: -50.950
tors. eta vs tors. theta energy: -114.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1343.437526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.437526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.437526 (E_RNA)
where:
Base-Base interactions energy: -913.255
where: short stacking energy: -382.685
Base-Backbone interact. energy: -0.175
local terms energy: -430.007850
where:
bonds (distance) C4'-P energy: -81.364
bonds (distance) P-C4' energy: -83.802
flat angles C4'-P-C4' energy: -90.328
flat angles P-C4'-P energy: -57.719
tors. eta vs tors. theta energy: -116.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1228.199724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.199724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.199724 (E_RNA)
where:
Base-Base interactions energy: -832.585
where: short stacking energy: -359.529
Base-Backbone interact. energy: -0.296
local terms energy: -395.318594
where:
bonds (distance) C4'-P energy: -76.595
bonds (distance) P-C4' energy: -66.685
flat angles C4'-P-C4' energy: -83.135
flat angles P-C4'-P energy: -56.743
tors. eta vs tors. theta energy: -112.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1155.435368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.435368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.435368 (E_RNA)
where:
Base-Base interactions energy: -786.142
where: short stacking energy: -323.970
Base-Backbone interact. energy: -1.315
local terms energy: -367.977889
where:
bonds (distance) C4'-P energy: -72.171
bonds (distance) P-C4' energy: -68.768
flat angles C4'-P-C4' energy: -83.412
flat angles P-C4'-P energy: -50.331
tors. eta vs tors. theta energy: -93.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1060.378636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.378636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.378636 (E_RNA)
where:
Base-Base interactions energy: -713.801
where: short stacking energy: -298.534
Base-Backbone interact. energy: -2.342
local terms energy: -344.235321
where:
bonds (distance) C4'-P energy: -66.037
bonds (distance) P-C4' energy: -71.029
flat angles C4'-P-C4' energy: -78.202
flat angles P-C4'-P energy: -43.663
tors. eta vs tors. theta energy: -85.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -871.635606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.635606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.635606 (E_RNA)
where:
Base-Base interactions energy: -572.140
where: short stacking energy: -241.751
Base-Backbone interact. energy: 1.207
local terms energy: -300.702693
where:
bonds (distance) C4'-P energy: -59.832
bonds (distance) P-C4' energy: -75.326
flat angles C4'-P-C4' energy: -65.823
flat angles P-C4'-P energy: -42.750
tors. eta vs tors. theta energy: -56.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -563.672682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.672682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.672682 (E_RNA)
where:
Base-Base interactions energy: -326.210
where: short stacking energy: -171.826
Base-Backbone interact. energy: 1.369
local terms energy: -238.832396
where:
bonds (distance) C4'-P energy: -62.741
bonds (distance) P-C4' energy: -45.661
flat angles C4'-P-C4' energy: -48.369
flat angles P-C4'-P energy: -50.065
tors. eta vs tors. theta energy: -31.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -544.513244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.513244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.513244 (E_RNA)
where:
Base-Base interactions energy: -293.378
where: short stacking energy: -135.326
Base-Backbone interact. energy: -0.896
local terms energy: -250.239452
where:
bonds (distance) C4'-P energy: -74.590
bonds (distance) P-C4' energy: -62.169
flat angles C4'-P-C4' energy: -72.103
flat angles P-C4'-P energy: -37.729
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -392.767257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.767257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.767257 (E_RNA)
where:
Base-Base interactions energy: -192.431
where: short stacking energy: -103.152
Base-Backbone interact. energy: 1.504
local terms energy: -201.839270
where:
bonds (distance) C4'-P energy: -63.677
bonds (distance) P-C4' energy: -69.445
flat angles C4'-P-C4' energy: -49.471
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: 7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1409.822992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.822992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.822992 (E_RNA)
where:
Base-Base interactions energy: -963.802
where: short stacking energy: -407.248
Base-Backbone interact. energy: 0.136
local terms energy: -446.156531
where:
bonds (distance) C4'-P energy: -82.897
bonds (distance) P-C4' energy: -76.799
flat angles C4'-P-C4' energy: -100.961
flat angles P-C4'-P energy: -60.801
tors. eta vs tors. theta energy: -124.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1334.548539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.548539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.548539 (E_RNA)
where:
Base-Base interactions energy: -923.685
where: short stacking energy: -410.794
Base-Backbone interact. energy: -1.380
local terms energy: -409.483975
where:
bonds (distance) C4'-P energy: -78.431
bonds (distance) P-C4' energy: -70.719
flat angles C4'-P-C4' energy: -84.654
flat angles P-C4'-P energy: -47.007
tors. eta vs tors. theta energy: -128.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1294.598225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.598225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.598225 (E_RNA)
where:
Base-Base interactions energy: -885.610
where: short stacking energy: -370.213
Base-Backbone interact. energy: 0.616
local terms energy: -409.604666
where:
bonds (distance) C4'-P energy: -71.310
bonds (distance) P-C4' energy: -85.189
flat angles C4'-P-C4' energy: -82.531
flat angles P-C4'-P energy: -57.927
tors. eta vs tors. theta energy: -112.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1242.974356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.974356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.974356 (E_RNA)
where:
Base-Base interactions energy: -833.293
where: short stacking energy: -360.341
Base-Backbone interact. energy: 0.734
local terms energy: -410.415470
where:
bonds (distance) C4'-P energy: -81.227
bonds (distance) P-C4' energy: -79.600
flat angles C4'-P-C4' energy: -82.021
flat angles P-C4'-P energy: -63.015
tors. eta vs tors. theta energy: -104.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1146.001814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.001814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.001814 (E_RNA)
where:
Base-Base interactions energy: -774.563
where: short stacking energy: -328.711
Base-Backbone interact. energy: -1.645
local terms energy: -369.793824
where:
bonds (distance) C4'-P energy: -73.899
bonds (distance) P-C4' energy: -78.381
flat angles C4'-P-C4' energy: -76.014
flat angles P-C4'-P energy: -45.897
tors. eta vs tors. theta energy: -95.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1053.715197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.715197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.715197 (E_RNA)
where:
Base-Base interactions energy: -702.140
where: short stacking energy: -297.581
Base-Backbone interact. energy: -0.151
local terms energy: -351.423785
where:
bonds (distance) C4'-P energy: -56.949
bonds (distance) P-C4' energy: -75.373
flat angles C4'-P-C4' energy: -85.867
flat angles P-C4'-P energy: -50.121
tors. eta vs tors. theta energy: -83.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -834.463112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.463112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.463112 (E_RNA)
where:
Base-Base interactions energy: -521.972
where: short stacking energy: -237.633
Base-Backbone interact. energy: -1.484
local terms energy: -311.006730
where:
bonds (distance) C4'-P energy: -66.152
bonds (distance) P-C4' energy: -63.367
flat angles C4'-P-C4' energy: -75.696
flat angles P-C4'-P energy: -45.914
tors. eta vs tors. theta energy: -59.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -592.537180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.537180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.537180 (E_RNA)
where:
Base-Base interactions energy: -319.812
where: short stacking energy: -164.310
Base-Backbone interact. energy: -0.431
local terms energy: -272.294321
where:
bonds (distance) C4'-P energy: -65.104
bonds (distance) P-C4' energy: -64.626
flat angles C4'-P-C4' energy: -67.098
flat angles P-C4'-P energy: -47.247
tors. eta vs tors. theta energy: -28.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -576.255411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.255411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.255411 (E_RNA)
where:
Base-Base interactions energy: -325.034
where: short stacking energy: -126.403
Base-Backbone interact. energy: -1.701
local terms energy: -249.520213
where:
bonds (distance) C4'-P energy: -61.903
bonds (distance) P-C4' energy: -75.445
flat angles C4'-P-C4' energy: -57.857
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -407.210767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.210767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.210767 (E_RNA)
where:
Base-Base interactions energy: -204.728
where: short stacking energy: -114.121
Base-Backbone interact. energy: 2.838
local terms energy: -205.321072
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -64.519
flat angles C4'-P-C4' energy: -47.376
flat angles P-C4'-P energy: -41.862
tors. eta vs tors. theta energy: -1.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1399.511063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.511063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.511063 (E_RNA)
where:
Base-Base interactions energy: -973.987
where: short stacking energy: -407.348
Base-Backbone interact. energy: -1.866
local terms energy: -423.658017
where:
bonds (distance) C4'-P energy: -73.699
bonds (distance) P-C4' energy: -86.415
flat angles C4'-P-C4' energy: -95.436
flat angles P-C4'-P energy: -51.708
tors. eta vs tors. theta energy: -116.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1344.234877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.234877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.234877 (E_RNA)
where:
Base-Base interactions energy: -924.722
where: short stacking energy: -395.682
Base-Backbone interact. energy: 0.021
local terms energy: -419.534012
where:
bonds (distance) C4'-P energy: -67.830
bonds (distance) P-C4' energy: -74.730
flat angles C4'-P-C4' energy: -90.350
flat angles P-C4'-P energy: -56.259
tors. eta vs tors. theta energy: -130.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1281.149598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.149598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.149598 (E_RNA)
where:
Base-Base interactions energy: -876.545
where: short stacking energy: -360.144
Base-Backbone interact. energy: -1.137
local terms energy: -403.467561
where:
bonds (distance) C4'-P energy: -71.431
bonds (distance) P-C4' energy: -76.489
flat angles C4'-P-C4' energy: -85.289
flat angles P-C4'-P energy: -56.798
tors. eta vs tors. theta energy: -113.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1242.420438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.420438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.420438 (E_RNA)
where:
Base-Base interactions energy: -852.561
where: short stacking energy: -367.021
Base-Backbone interact. energy: 1.888
local terms energy: -391.747537
where:
bonds (distance) C4'-P energy: -65.694
bonds (distance) P-C4' energy: -79.959
flat angles C4'-P-C4' energy: -80.504
flat angles P-C4'-P energy: -57.700
tors. eta vs tors. theta energy: -107.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1177.975225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.975225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.975225 (E_RNA)
where:
Base-Base interactions energy: -809.829
where: short stacking energy: -320.048
Base-Backbone interact. energy: -0.685
local terms energy: -367.461205
where:
bonds (distance) C4'-P energy: -80.008
bonds (distance) P-C4' energy: -72.721
flat angles C4'-P-C4' energy: -80.552
flat angles P-C4'-P energy: -46.888
tors. eta vs tors. theta energy: -87.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1074.423147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.423147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.423147 (E_RNA)
where:
Base-Base interactions energy: -733.051
where: short stacking energy: -313.909
Base-Backbone interact. energy: -2.176
local terms energy: -339.196481
where:
bonds (distance) C4'-P energy: -47.427
bonds (distance) P-C4' energy: -69.874
flat angles C4'-P-C4' energy: -68.514
flat angles P-C4'-P energy: -54.808
tors. eta vs tors. theta energy: -98.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -784.836834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.836834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.836834 (E_RNA)
where:
Base-Base interactions energy: -470.965
where: short stacking energy: -220.426
Base-Backbone interact. energy: -0.823
local terms energy: -313.048719
where:
bonds (distance) C4'-P energy: -83.045
bonds (distance) P-C4' energy: -75.313
flat angles C4'-P-C4' energy: -62.826
flat angles P-C4'-P energy: -38.233
tors. eta vs tors. theta energy: -53.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -596.903897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.903897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.903897 (E_RNA)
where:
Base-Base interactions energy: -345.673
where: short stacking energy: -167.490
Base-Backbone interact. energy: -0.768
local terms energy: -250.462555
where:
bonds (distance) C4'-P energy: -74.835
bonds (distance) P-C4' energy: -57.197
flat angles C4'-P-C4' energy: -51.478
flat angles P-C4'-P energy: -43.958
tors. eta vs tors. theta energy: -22.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -521.877174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.877174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.877174 (E_RNA)
where:
Base-Base interactions energy: -286.682
where: short stacking energy: -141.346
Base-Backbone interact. energy: -0.329
local terms energy: -234.867022
where:
bonds (distance) C4'-P energy: -67.731
bonds (distance) P-C4' energy: -56.170
flat angles C4'-P-C4' energy: -59.326
flat angles P-C4'-P energy: -47.059
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -372.456211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.456211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.456211 (E_RNA)
where:
Base-Base interactions energy: -167.167
where: short stacking energy: -117.906
Base-Backbone interact. energy: -0.179
local terms energy: -205.110419
where:
bonds (distance) C4'-P energy: -55.722
bonds (distance) P-C4' energy: -64.042
flat angles C4'-P-C4' energy: -53.324
flat angles P-C4'-P energy: -41.940
tors. eta vs tors. theta energy: 9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1421.602393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.602393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.602393 (E_RNA)
where:
Base-Base interactions energy: -981.140
where: short stacking energy: -413.813
Base-Backbone interact. energy: 0.923
local terms energy: -441.385109
where:
bonds (distance) C4'-P energy: -82.900
bonds (distance) P-C4' energy: -81.649
flat angles C4'-P-C4' energy: -87.634
flat angles P-C4'-P energy: -62.492
tors. eta vs tors. theta energy: -126.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1316.410856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.410856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.410856 (E_RNA)
where:
Base-Base interactions energy: -918.936
where: short stacking energy: -385.719
Base-Backbone interact. energy: -0.787
local terms energy: -396.687560
where:
bonds (distance) C4'-P energy: -76.658
bonds (distance) P-C4' energy: -72.899
flat angles C4'-P-C4' energy: -80.064
flat angles P-C4'-P energy: -55.166
tors. eta vs tors. theta energy: -111.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1287.689831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.689831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.689831 (E_RNA)
where:
Base-Base interactions energy: -879.754
where: short stacking energy: -350.909
Base-Backbone interact. energy: -0.506
local terms energy: -407.430138
where:
bonds (distance) C4'-P energy: -78.476
bonds (distance) P-C4' energy: -70.964
flat angles C4'-P-C4' energy: -89.202
flat angles P-C4'-P energy: -59.374
tors. eta vs tors. theta energy: -109.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1221.992948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.992948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.992948 (E_RNA)
where:
Base-Base interactions energy: -815.744
where: short stacking energy: -336.258
Base-Backbone interact. energy: -2.596
local terms energy: -403.652219
where:
bonds (distance) C4'-P energy: -74.661
bonds (distance) P-C4' energy: -84.294
flat angles C4'-P-C4' energy: -97.100
flat angles P-C4'-P energy: -62.003
tors. eta vs tors. theta energy: -85.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1197.887957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.887957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.887957 (E_RNA)
where:
Base-Base interactions energy: -824.071
where: short stacking energy: -348.234
Base-Backbone interact. energy: -1.349
local terms energy: -372.468110
where:
bonds (distance) C4'-P energy: -73.256
bonds (distance) P-C4' energy: -67.667
flat angles C4'-P-C4' energy: -83.351
flat angles P-C4'-P energy: -54.754
tors. eta vs tors. theta energy: -93.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1084.634114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.634114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.634114 (E_RNA)
where:
Base-Base interactions energy: -726.589
where: short stacking energy: -318.124
Base-Backbone interact. energy: 3.215
local terms energy: -361.259920
where:
bonds (distance) C4'-P energy: -72.425
bonds (distance) P-C4' energy: -84.625
flat angles C4'-P-C4' energy: -80.033
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: -84.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -875.743170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.743170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.743170 (E_RNA)
where:
Base-Base interactions energy: -540.081
where: short stacking energy: -242.471
Base-Backbone interact. energy: -0.408
local terms energy: -335.253527
where:
bonds (distance) C4'-P energy: -74.379
bonds (distance) P-C4' energy: -68.865
flat angles C4'-P-C4' energy: -76.856
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: -65.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -612.436151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.436151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.436151 (E_RNA)
where:
Base-Base interactions energy: -347.027
where: short stacking energy: -164.060
Base-Backbone interact. energy: -0.233
local terms energy: -265.175573
where:
bonds (distance) C4'-P energy: -76.612
bonds (distance) P-C4' energy: -72.121
flat angles C4'-P-C4' energy: -48.959
flat angles P-C4'-P energy: -35.493
tors. eta vs tors. theta energy: -31.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -525.959524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.959524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.959524 (E_RNA)
where:
Base-Base interactions energy: -301.749
where: short stacking energy: -153.213
Base-Backbone interact. energy: -1.676
local terms energy: -222.534608
where:
bonds (distance) C4'-P energy: -48.694
bonds (distance) P-C4' energy: -69.433
flat angles C4'-P-C4' energy: -52.709
flat angles P-C4'-P energy: -34.844
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -410.277596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.277596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.277596 (E_RNA)
where:
Base-Base interactions energy: -171.409
where: short stacking energy: -112.933
Base-Backbone interact. energy: -1.750
local terms energy: -237.118865
where:
bonds (distance) C4'-P energy: -71.492
bonds (distance) P-C4' energy: -71.941
flat angles C4'-P-C4' energy: -51.024
flat angles P-C4'-P energy: -33.695
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1421.150194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.150194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.150194 (E_RNA)
where:
Base-Base interactions energy: -991.153
where: short stacking energy: -406.637
Base-Backbone interact. energy: -0.458
local terms energy: -429.538630
where:
bonds (distance) C4'-P energy: -62.769
bonds (distance) P-C4' energy: -81.757
flat angles C4'-P-C4' energy: -98.645
flat angles P-C4'-P energy: -57.105
tors. eta vs tors. theta energy: -129.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1348.246183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.246183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.246183 (E_RNA)
where:
Base-Base interactions energy: -928.946
where: short stacking energy: -395.562
Base-Backbone interact. energy: -1.135
local terms energy: -418.165398
where:
bonds (distance) C4'-P energy: -81.418
bonds (distance) P-C4' energy: -77.663
flat angles C4'-P-C4' energy: -86.523
flat angles P-C4'-P energy: -50.210
tors. eta vs tors. theta energy: -122.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1297.711773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.711773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.711773 (E_RNA)
where:
Base-Base interactions energy: -908.930
where: short stacking energy: -354.536
Base-Backbone interact. energy: 0.855
local terms energy: -389.637059
where:
bonds (distance) C4'-P energy: -71.369
bonds (distance) P-C4' energy: -70.060
flat angles C4'-P-C4' energy: -85.338
flat angles P-C4'-P energy: -52.558
tors. eta vs tors. theta energy: -110.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1257.966093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.966093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.966093 (E_RNA)
where:
Base-Base interactions energy: -871.624
where: short stacking energy: -378.999
Base-Backbone interact. energy: -3.122
local terms energy: -383.220457
where:
bonds (distance) C4'-P energy: -76.495
bonds (distance) P-C4' energy: -71.123
flat angles C4'-P-C4' energy: -84.600
flat angles P-C4'-P energy: -51.057
tors. eta vs tors. theta energy: -99.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1184.035848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.035848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.035848 (E_RNA)
where:
Base-Base interactions energy: -792.367
where: short stacking energy: -320.379
Base-Backbone interact. energy: 0.149
local terms energy: -391.817668
where:
bonds (distance) C4'-P energy: -76.046
bonds (distance) P-C4' energy: -80.559
flat angles C4'-P-C4' energy: -88.688
flat angles P-C4'-P energy: -51.100
tors. eta vs tors. theta energy: -95.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1081.783812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.783812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.783812 (E_RNA)
where:
Base-Base interactions energy: -714.225
where: short stacking energy: -297.217
Base-Backbone interact. energy: -2.268
local terms energy: -365.290811
where:
bonds (distance) C4'-P energy: -73.971
bonds (distance) P-C4' energy: -71.806
flat angles C4'-P-C4' energy: -84.618
flat angles P-C4'-P energy: -44.956
tors. eta vs tors. theta energy: -89.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -822.457910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.457910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.457910 (E_RNA)
where:
Base-Base interactions energy: -517.511
where: short stacking energy: -217.912
Base-Backbone interact. energy: 0.453
local terms energy: -305.400668
where:
bonds (distance) C4'-P energy: -79.932
bonds (distance) P-C4' energy: -57.414
flat angles C4'-P-C4' energy: -74.764
flat angles P-C4'-P energy: -35.286
tors. eta vs tors. theta energy: -58.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -582.099648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.099648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.099648 (E_RNA)
where:
Base-Base interactions energy: -314.778
where: short stacking energy: -157.144
Base-Backbone interact. energy: 0.400
local terms energy: -267.721032
where:
bonds (distance) C4'-P energy: -67.013
bonds (distance) P-C4' energy: -78.759
flat angles C4'-P-C4' energy: -59.340
flat angles P-C4'-P energy: -42.542
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -517.029985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.029985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.029985 (E_RNA)
where:
Base-Base interactions energy: -264.813
where: short stacking energy: -139.036
Base-Backbone interact. energy: -1.600
local terms energy: -250.616792
where:
bonds (distance) C4'-P energy: -55.102
bonds (distance) P-C4' energy: -65.627
flat angles C4'-P-C4' energy: -75.595
flat angles P-C4'-P energy: -41.439
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -421.358936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.358936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.358936 (E_RNA)
where:
Base-Base interactions energy: -218.514
where: short stacking energy: -126.980
Base-Backbone interact. energy: 5.399
local terms energy: -208.244602
where:
bonds (distance) C4'-P energy: -65.281
bonds (distance) P-C4' energy: -60.229
flat angles C4'-P-C4' energy: -41.973
flat angles P-C4'-P energy: -32.362
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1425.684688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.684688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.684688 (E_RNA)
where:
Base-Base interactions energy: -980.454
where: short stacking energy: -417.265
Base-Backbone interact. energy: -0.398
local terms energy: -444.833182
where:
bonds (distance) C4'-P energy: -66.982
bonds (distance) P-C4' energy: -82.191
flat angles C4'-P-C4' energy: -98.883
flat angles P-C4'-P energy: -74.853
tors. eta vs tors. theta energy: -121.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1365.694796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.694796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.694796 (E_RNA)
where:
Base-Base interactions energy: -946.320
where: short stacking energy: -377.901
Base-Backbone interact. energy: -0.956
local terms energy: -418.418866
where:
bonds (distance) C4'-P energy: -75.463
bonds (distance) P-C4' energy: -74.598
flat angles C4'-P-C4' energy: -87.416
flat angles P-C4'-P energy: -62.070
tors. eta vs tors. theta energy: -118.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1304.288292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.288292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.288292 (E_RNA)
where:
Base-Base interactions energy: -904.195
where: short stacking energy: -369.695
Base-Backbone interact. energy: 3.934
local terms energy: -404.027186
where:
bonds (distance) C4'-P energy: -75.863
bonds (distance) P-C4' energy: -79.391
flat angles C4'-P-C4' energy: -82.899
flat angles P-C4'-P energy: -57.066
tors. eta vs tors. theta energy: -108.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1236.371610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.371610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.371610 (E_RNA)
where:
Base-Base interactions energy: -836.404
where: short stacking energy: -346.374
Base-Backbone interact. energy: -1.344
local terms energy: -398.623664
where:
bonds (distance) C4'-P energy: -71.147
bonds (distance) P-C4' energy: -87.270
flat angles C4'-P-C4' energy: -86.835
flat angles P-C4'-P energy: -51.818
tors. eta vs tors. theta energy: -101.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1182.281436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.281436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.281436 (E_RNA)
where:
Base-Base interactions energy: -795.267
where: short stacking energy: -318.613
Base-Backbone interact. energy: -1.326
local terms energy: -385.688812
where:
bonds (distance) C4'-P energy: -72.943
bonds (distance) P-C4' energy: -69.790
flat angles C4'-P-C4' energy: -86.831
flat angles P-C4'-P energy: -50.655
tors. eta vs tors. theta energy: -105.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1009.404019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.404019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.404019 (E_RNA)
where:
Base-Base interactions energy: -686.178
where: short stacking energy: -270.197
Base-Backbone interact. energy: 1.343
local terms energy: -324.568553
where:
bonds (distance) C4'-P energy: -72.913
bonds (distance) P-C4' energy: -59.844
flat angles C4'-P-C4' energy: -80.870
flat angles P-C4'-P energy: -41.165
tors. eta vs tors. theta energy: -69.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -848.395494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.395494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.395494 (E_RNA)
where:
Base-Base interactions energy: -536.723
where: short stacking energy: -239.538
Base-Backbone interact. energy: -0.913
local terms energy: -310.760361
where:
bonds (distance) C4'-P energy: -60.403
bonds (distance) P-C4' energy: -77.108
flat angles C4'-P-C4' energy: -67.056
flat angles P-C4'-P energy: -42.375
tors. eta vs tors. theta energy: -63.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -550.278716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.278716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.278716 (E_RNA)
where:
Base-Base interactions energy: -301.379
where: short stacking energy: -139.383
Base-Backbone interact. energy: 0.600
local terms energy: -249.499684
where:
bonds (distance) C4'-P energy: -74.888
bonds (distance) P-C4' energy: -67.550
flat angles C4'-P-C4' energy: -56.967
flat angles P-C4'-P energy: -38.104
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -553.684679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.684679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.684679 (E_RNA)
where:
Base-Base interactions energy: -287.719
where: short stacking energy: -158.648
Base-Backbone interact. energy: -1.098
local terms energy: -264.868398
where:
bonds (distance) C4'-P energy: -71.003
bonds (distance) P-C4' energy: -68.184
flat angles C4'-P-C4' energy: -70.460
flat angles P-C4'-P energy: -29.905
tors. eta vs tors. theta energy: -25.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -432.017386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.017386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.017386 (E_RNA)
where:
Base-Base interactions energy: -201.674
where: short stacking energy: -127.438
Base-Backbone interact. energy: -1.917
local terms energy: -228.426016
where:
bonds (distance) C4'-P energy: -59.019
bonds (distance) P-C4' energy: -67.715
flat angles C4'-P-C4' energy: -56.221
flat angles P-C4'-P energy: -36.126
tors. eta vs tors. theta energy: -9.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1421.244683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.244683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.244683 (E_RNA)
where:
Base-Base interactions energy: -983.349
where: short stacking energy: -399.663
Base-Backbone interact. energy: -0.182
local terms energy: -437.713925
where:
bonds (distance) C4'-P energy: -77.147
bonds (distance) P-C4' energy: -78.780
flat angles C4'-P-C4' energy: -90.393
flat angles P-C4'-P energy: -64.540
tors. eta vs tors. theta energy: -126.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1356.959305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.959305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.959305 (E_RNA)
where:
Base-Base interactions energy: -947.610
where: short stacking energy: -401.465
Base-Backbone interact. energy: -2.104
local terms energy: -407.245203
where:
bonds (distance) C4'-P energy: -72.907
bonds (distance) P-C4' energy: -83.509
flat angles C4'-P-C4' energy: -83.536
flat angles P-C4'-P energy: -51.948
tors. eta vs tors. theta energy: -115.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1346.646309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.646309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.646309 (E_RNA)
where:
Base-Base interactions energy: -916.405
where: short stacking energy: -379.533
Base-Backbone interact. energy: -3.165
local terms energy: -427.076559
where:
bonds (distance) C4'-P energy: -65.920
bonds (distance) P-C4' energy: -86.205
flat angles C4'-P-C4' energy: -95.242
flat angles P-C4'-P energy: -53.930
tors. eta vs tors. theta energy: -125.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1214.026136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.026136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.026136 (E_RNA)
where:
Base-Base interactions energy: -838.421
where: short stacking energy: -362.849
Base-Backbone interact. energy: -1.855
local terms energy: -373.749450
where:
bonds (distance) C4'-P energy: -57.480
bonds (distance) P-C4' energy: -71.424
flat angles C4'-P-C4' energy: -92.344
flat angles P-C4'-P energy: -47.093
tors. eta vs tors. theta energy: -105.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1173.059351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.059351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.059351 (E_RNA)
where:
Base-Base interactions energy: -815.682
where: short stacking energy: -342.395
Base-Backbone interact. energy: -3.565
local terms energy: -353.812934
where:
bonds (distance) C4'-P energy: -73.303
bonds (distance) P-C4' energy: -69.156
flat angles C4'-P-C4' energy: -72.529
flat angles P-C4'-P energy: -42.685
tors. eta vs tors. theta energy: -96.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1041.226255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.226255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.226255 (E_RNA)
where:
Base-Base interactions energy: -697.291
where: short stacking energy: -287.834
Base-Backbone interact. energy: -0.859
local terms energy: -343.076599
where:
bonds (distance) C4'-P energy: -58.832
bonds (distance) P-C4' energy: -65.237
flat angles C4'-P-C4' energy: -81.389
flat angles P-C4'-P energy: -49.649
tors. eta vs tors. theta energy: -87.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -805.436290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.436290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.436290 (E_RNA)
where:
Base-Base interactions energy: -512.481
where: short stacking energy: -221.987
Base-Backbone interact. energy: -0.889
local terms energy: -292.066785
where:
bonds (distance) C4'-P energy: -61.179
bonds (distance) P-C4' energy: -71.912
flat angles C4'-P-C4' energy: -72.635
flat angles P-C4'-P energy: -45.719
tors. eta vs tors. theta energy: -40.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -541.775956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.775956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.775956 (E_RNA)
where:
Base-Base interactions energy: -293.269
where: short stacking energy: -165.574
Base-Backbone interact. energy: -3.928
local terms energy: -244.579150
where:
bonds (distance) C4'-P energy: -58.135
bonds (distance) P-C4' energy: -52.325
flat angles C4'-P-C4' energy: -65.530
flat angles P-C4'-P energy: -50.270
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -523.995648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.995648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.995648 (E_RNA)
where:
Base-Base interactions energy: -285.350
where: short stacking energy: -148.429
Base-Backbone interact. energy: -0.991
local terms energy: -237.654708
where:
bonds (distance) C4'-P energy: -52.746
bonds (distance) P-C4' energy: -69.638
flat angles C4'-P-C4' energy: -64.851
flat angles P-C4'-P energy: -40.417
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -448.105905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.105905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.105905 (E_RNA)
where:
Base-Base interactions energy: -231.260
where: short stacking energy: -121.596
Base-Backbone interact. energy: -0.509
local terms energy: -216.337052
where:
bonds (distance) C4'-P energy: -62.913
bonds (distance) P-C4' energy: -87.686
flat angles C4'-P-C4' energy: -48.361
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: 2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1414.904922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.904922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.904922 (E_RNA)
where:
Base-Base interactions energy: -985.967
where: short stacking energy: -414.763
Base-Backbone interact. energy: -1.981
local terms energy: -426.957476
where:
bonds (distance) C4'-P energy: -67.043
bonds (distance) P-C4' energy: -87.077
flat angles C4'-P-C4' energy: -91.095
flat angles P-C4'-P energy: -54.828
tors. eta vs tors. theta energy: -126.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1350.539254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.539254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.539254 (E_RNA)
where:
Base-Base interactions energy: -921.152
where: short stacking energy: -385.859
Base-Backbone interact. energy: -2.014
local terms energy: -427.373685
where:
bonds (distance) C4'-P energy: -76.081
bonds (distance) P-C4' energy: -87.142
flat angles C4'-P-C4' energy: -90.251
flat angles P-C4'-P energy: -57.945
tors. eta vs tors. theta energy: -115.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1332.398821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.398821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.398821 (E_RNA)
where:
Base-Base interactions energy: -931.257
where: short stacking energy: -372.600
Base-Backbone interact. energy: 0.253
local terms energy: -401.394767
where:
bonds (distance) C4'-P energy: -67.439
bonds (distance) P-C4' energy: -72.317
flat angles C4'-P-C4' energy: -88.040
flat angles P-C4'-P energy: -54.327
tors. eta vs tors. theta energy: -119.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1201.562889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.562889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.562889 (E_RNA)
where:
Base-Base interactions energy: -823.532
where: short stacking energy: -341.215
Base-Backbone interact. energy: -1.793
local terms energy: -376.237655
where:
bonds (distance) C4'-P energy: -65.918
bonds (distance) P-C4' energy: -80.746
flat angles C4'-P-C4' energy: -86.465
flat angles P-C4'-P energy: -51.813
tors. eta vs tors. theta energy: -91.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1153.862672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.862672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.862672 (E_RNA)
where:
Base-Base interactions energy: -778.135
where: short stacking energy: -325.020
Base-Backbone interact. energy: -1.646
local terms energy: -374.081525
where:
bonds (distance) C4'-P energy: -69.024
bonds (distance) P-C4' energy: -73.104
flat angles C4'-P-C4' energy: -81.939
flat angles P-C4'-P energy: -53.677
tors. eta vs tors. theta energy: -96.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1100.208232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.208232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.208232 (E_RNA)
where:
Base-Base interactions energy: -758.599
where: short stacking energy: -297.149
Base-Backbone interact. energy: 0.199
local terms energy: -341.808537
where:
bonds (distance) C4'-P energy: -68.112
bonds (distance) P-C4' energy: -72.819
flat angles C4'-P-C4' energy: -80.614
flat angles P-C4'-P energy: -48.406
tors. eta vs tors. theta energy: -71.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -763.566339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.566339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.566339 (E_RNA)
where:
Base-Base interactions energy: -468.413
where: short stacking energy: -241.773
Base-Backbone interact. energy: -1.994
local terms energy: -293.159641
where:
bonds (distance) C4'-P energy: -59.596
bonds (distance) P-C4' energy: -78.680
flat angles C4'-P-C4' energy: -70.164
flat angles P-C4'-P energy: -29.632
tors. eta vs tors. theta energy: -55.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -579.135231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.135231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.135231 (E_RNA)
where:
Base-Base interactions energy: -301.767
where: short stacking energy: -151.426
Base-Backbone interact. energy: -2.458
local terms energy: -274.909532
where:
bonds (distance) C4'-P energy: -80.794
bonds (distance) P-C4' energy: -58.528
flat angles C4'-P-C4' energy: -63.468
flat angles P-C4'-P energy: -45.504
tors. eta vs tors. theta energy: -26.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -535.601492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.601492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.601492 (E_RNA)
where:
Base-Base interactions energy: -300.792
where: short stacking energy: -154.768
Base-Backbone interact. energy: 3.534
local terms energy: -238.343716
where:
bonds (distance) C4'-P energy: -66.460
bonds (distance) P-C4' energy: -65.492
flat angles C4'-P-C4' energy: -56.808
flat angles P-C4'-P energy: -37.432
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -384.398158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.398158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.398158 (E_RNA)
where:
Base-Base interactions energy: -169.456
where: short stacking energy: -124.671
Base-Backbone interact. energy: 0.175
local terms energy: -215.117537
where:
bonds (distance) C4'-P energy: -69.769
bonds (distance) P-C4' energy: -73.509
flat angles C4'-P-C4' energy: -60.627
flat angles P-C4'-P energy: -21.525
tors. eta vs tors. theta energy: 10.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1393.903588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.903588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.903588 (E_RNA)
where:
Base-Base interactions energy: -961.811
where: short stacking energy: -392.639
Base-Backbone interact. energy: -0.797
local terms energy: -431.296261
where:
bonds (distance) C4'-P energy: -79.982
bonds (distance) P-C4' energy: -81.295
flat angles C4'-P-C4' energy: -91.285
flat angles P-C4'-P energy: -62.971
tors. eta vs tors. theta energy: -115.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1354.012055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.012055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.012055 (E_RNA)
where:
Base-Base interactions energy: -943.109
where: short stacking energy: -391.935
Base-Backbone interact. energy: 1.432
local terms energy: -412.334785
where:
bonds (distance) C4'-P energy: -60.723
bonds (distance) P-C4' energy: -83.755
flat angles C4'-P-C4' energy: -88.167
flat angles P-C4'-P energy: -55.659
tors. eta vs tors. theta energy: -124.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1314.559994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.559994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.559994 (E_RNA)
where:
Base-Base interactions energy: -899.185
where: short stacking energy: -378.602
Base-Backbone interact. energy: -2.330
local terms energy: -413.045403
where:
bonds (distance) C4'-P energy: -83.419
bonds (distance) P-C4' energy: -73.353
flat angles C4'-P-C4' energy: -86.981
flat angles P-C4'-P energy: -53.830
tors. eta vs tors. theta energy: -115.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1182.073969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.073969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.073969 (E_RNA)
where:
Base-Base interactions energy: -832.552
where: short stacking energy: -343.929
Base-Backbone interact. energy: -1.009
local terms energy: -348.513624
where:
bonds (distance) C4'-P energy: -62.378
bonds (distance) P-C4' energy: -74.634
flat angles C4'-P-C4' energy: -78.356
flat angles P-C4'-P energy: -38.376
tors. eta vs tors. theta energy: -94.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1127.180351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.180351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.180351 (E_RNA)
where:
Base-Base interactions energy: -764.410
where: short stacking energy: -333.512
Base-Backbone interact. energy: -2.735
local terms energy: -360.035172
where:
bonds (distance) C4'-P energy: -60.889
bonds (distance) P-C4' energy: -75.234
flat angles C4'-P-C4' energy: -75.698
flat angles P-C4'-P energy: -55.362
tors. eta vs tors. theta energy: -92.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1129.366212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.366212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.366212 (E_RNA)
where:
Base-Base interactions energy: -755.890
where: short stacking energy: -313.002
Base-Backbone interact. energy: -1.991
local terms energy: -371.485754
where:
bonds (distance) C4'-P energy: -70.170
bonds (distance) P-C4' energy: -72.027
flat angles C4'-P-C4' energy: -83.472
flat angles P-C4'-P energy: -52.955
tors. eta vs tors. theta energy: -92.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -764.846792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.846792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.846792 (E_RNA)
where:
Base-Base interactions energy: -465.684
where: short stacking energy: -224.177
Base-Backbone interact. energy: -0.892
local terms energy: -298.270487
where:
bonds (distance) C4'-P energy: -68.872
bonds (distance) P-C4' energy: -66.775
flat angles C4'-P-C4' energy: -62.575
flat angles P-C4'-P energy: -47.503
tors. eta vs tors. theta energy: -52.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -555.041498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.041498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.041498 (E_RNA)
where:
Base-Base interactions energy: -294.097
where: short stacking energy: -159.227
Base-Backbone interact. energy: 0.345
local terms energy: -261.288926
where:
bonds (distance) C4'-P energy: -66.804
bonds (distance) P-C4' energy: -53.274
flat angles C4'-P-C4' energy: -70.162
flat angles P-C4'-P energy: -44.830
tors. eta vs tors. theta energy: -26.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -529.980118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.980118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.980118 (E_RNA)
where:
Base-Base interactions energy: -289.775
where: short stacking energy: -127.596
Base-Backbone interact. energy: -2.490
local terms energy: -237.715641
where:
bonds (distance) C4'-P energy: -75.249
bonds (distance) P-C4' energy: -67.972
flat angles C4'-P-C4' energy: -57.332
flat angles P-C4'-P energy: -31.256
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -385.833414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.833414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.833414 (E_RNA)
where:
Base-Base interactions energy: -175.666
where: short stacking energy: -110.360
Base-Backbone interact. energy: -1.442
local terms energy: -208.725707
where:
bonds (distance) C4'-P energy: -63.731
bonds (distance) P-C4' energy: -53.423
flat angles C4'-P-C4' energy: -55.983
flat angles P-C4'-P energy: -37.726
tors. eta vs tors. theta energy: 2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1407.663719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.663719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.663719 (E_RNA)
where:
Base-Base interactions energy: -966.150
where: short stacking energy: -406.624
Base-Backbone interact. energy: -0.905
local terms energy: -440.608604
where:
bonds (distance) C4'-P energy: -80.621
bonds (distance) P-C4' energy: -75.239
flat angles C4'-P-C4' energy: -90.260
flat angles P-C4'-P energy: -67.529
tors. eta vs tors. theta energy: -126.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1396.208055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.208055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.208055 (E_RNA)
where:
Base-Base interactions energy: -975.504
where: short stacking energy: -421.905
Base-Backbone interact. energy: -1.120
local terms energy: -419.583493
where:
bonds (distance) C4'-P energy: -78.357
bonds (distance) P-C4' energy: -66.685
flat angles C4'-P-C4' energy: -93.558
flat angles P-C4'-P energy: -59.814
tors. eta vs tors. theta energy: -121.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1319.559174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.559174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.559174 (E_RNA)
where:
Base-Base interactions energy: -906.414
where: short stacking energy: -372.620
Base-Backbone interact. energy: -1.557
local terms energy: -411.587719
where:
bonds (distance) C4'-P energy: -76.658
bonds (distance) P-C4' energy: -81.495
flat angles C4'-P-C4' energy: -89.291
flat angles P-C4'-P energy: -44.078
tors. eta vs tors. theta energy: -120.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1201.845614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.845614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.845614 (E_RNA)
where:
Base-Base interactions energy: -806.093
where: short stacking energy: -341.280
Base-Backbone interact. energy: -1.475
local terms energy: -394.278000
where:
bonds (distance) C4'-P energy: -72.505
bonds (distance) P-C4' energy: -88.632
flat angles C4'-P-C4' energy: -85.854
flat angles P-C4'-P energy: -43.107
tors. eta vs tors. theta energy: -104.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1145.336786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.336786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.336786 (E_RNA)
where:
Base-Base interactions energy: -783.844
where: short stacking energy: -331.492
Base-Backbone interact. energy: 0.271
local terms energy: -361.763935
where:
bonds (distance) C4'-P energy: -60.051
bonds (distance) P-C4' energy: -70.838
flat angles C4'-P-C4' energy: -84.580
flat angles P-C4'-P energy: -52.946
tors. eta vs tors. theta energy: -93.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1124.254699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.254699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.254699 (E_RNA)
where:
Base-Base interactions energy: -759.961
where: short stacking energy: -324.713
Base-Backbone interact. energy: -1.581
local terms energy: -362.712351
where:
bonds (distance) C4'-P energy: -74.941
bonds (distance) P-C4' energy: -63.922
flat angles C4'-P-C4' energy: -78.869
flat angles P-C4'-P energy: -52.074
tors. eta vs tors. theta energy: -92.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -803.016225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.016225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.016225 (E_RNA)
where:
Base-Base interactions energy: -498.118
where: short stacking energy: -213.578
Base-Backbone interact. energy: -0.376
local terms energy: -304.521541
where:
bonds (distance) C4'-P energy: -67.574
bonds (distance) P-C4' energy: -75.404
flat angles C4'-P-C4' energy: -74.239
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -49.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -592.981287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.981287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.981287 (E_RNA)
where:
Base-Base interactions energy: -327.635
where: short stacking energy: -178.332
Base-Backbone interact. energy: -0.657
local terms energy: -264.689291
where:
bonds (distance) C4'-P energy: -72.111
bonds (distance) P-C4' energy: -70.529
flat angles C4'-P-C4' energy: -63.181
flat angles P-C4'-P energy: -36.035
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -458.095696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.095696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.095696 (E_RNA)
where:
Base-Base interactions energy: -233.617
where: short stacking energy: -123.782
Base-Backbone interact. energy: 3.295
local terms energy: -227.773706
where:
bonds (distance) C4'-P energy: -68.602
bonds (distance) P-C4' energy: -66.037
flat angles C4'-P-C4' energy: -65.322
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: 2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -310.781889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.781889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.781889 (E_RNA)
where:
Base-Base interactions energy: -127.222
where: short stacking energy: -68.060
Base-Backbone interact. energy: -1.674
local terms energy: -181.886641
where:
bonds (distance) C4'-P energy: -55.627
bonds (distance) P-C4' energy: -77.892
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -29.521
tors. eta vs tors. theta energy: 19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1422.888498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.888498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.888498 (E_RNA)
where:
Base-Base interactions energy: -988.747
where: short stacking energy: -409.311
Base-Backbone interact. energy: -2.449
local terms energy: -431.692451
where:
bonds (distance) C4'-P energy: -78.151
bonds (distance) P-C4' energy: -76.806
flat angles C4'-P-C4' energy: -91.170
flat angles P-C4'-P energy: -55.066
tors. eta vs tors. theta energy: -130.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1388.979897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.979897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.979897 (E_RNA)
where:
Base-Base interactions energy: -943.184
where: short stacking energy: -416.924
Base-Backbone interact. energy: -1.154
local terms energy: -444.641835
where:
bonds (distance) C4'-P energy: -74.213
bonds (distance) P-C4' energy: -94.414
flat angles C4'-P-C4' energy: -84.072
flat angles P-C4'-P energy: -63.536
tors. eta vs tors. theta energy: -128.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1289.157850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.157850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.157850 (E_RNA)
where:
Base-Base interactions energy: -883.743
where: short stacking energy: -376.676
Base-Backbone interact. energy: -0.421
local terms energy: -404.993552
where:
bonds (distance) C4'-P energy: -75.975
bonds (distance) P-C4' energy: -70.269
flat angles C4'-P-C4' energy: -80.715
flat angles P-C4'-P energy: -61.836
tors. eta vs tors. theta energy: -116.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1214.155365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.155365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.155365 (E_RNA)
where:
Base-Base interactions energy: -842.327
where: short stacking energy: -348.872
Base-Backbone interact. energy: -0.319
local terms energy: -371.508784
where:
bonds (distance) C4'-P energy: -64.607
bonds (distance) P-C4' energy: -80.535
flat angles C4'-P-C4' energy: -83.147
flat angles P-C4'-P energy: -36.447
tors. eta vs tors. theta energy: -106.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1157.286385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.286385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.286385 (E_RNA)
where:
Base-Base interactions energy: -803.503
where: short stacking energy: -348.999
Base-Backbone interact. energy: -2.742
local terms energy: -351.040954
where:
bonds (distance) C4'-P energy: -65.237
bonds (distance) P-C4' energy: -67.852
flat angles C4'-P-C4' energy: -67.003
flat angles P-C4'-P energy: -48.470
tors. eta vs tors. theta energy: -102.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1108.326993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.326993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.326993 (E_RNA)
where:
Base-Base interactions energy: -760.621
where: short stacking energy: -315.193
Base-Backbone interact. energy: -0.890
local terms energy: -346.815762
where:
bonds (distance) C4'-P energy: -58.708
bonds (distance) P-C4' energy: -74.548
flat angles C4'-P-C4' energy: -72.543
flat angles P-C4'-P energy: -48.107
tors. eta vs tors. theta energy: -92.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -841.668575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.668575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.668575 (E_RNA)
where:
Base-Base interactions energy: -522.826
where: short stacking energy: -236.851
Base-Backbone interact. energy: -3.120
local terms energy: -315.722152
where:
bonds (distance) C4'-P energy: -67.403
bonds (distance) P-C4' energy: -74.079
flat angles C4'-P-C4' energy: -76.614
flat angles P-C4'-P energy: -34.430
tors. eta vs tors. theta energy: -63.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -512.246101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.246101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.246101 (E_RNA)
where:
Base-Base interactions energy: -273.781
where: short stacking energy: -122.868
Base-Backbone interact. energy: -1.388
local terms energy: -237.077141
where:
bonds (distance) C4'-P energy: -73.890
bonds (distance) P-C4' energy: -68.903
flat angles C4'-P-C4' energy: -54.354
flat angles P-C4'-P energy: -41.452
tors. eta vs tors. theta energy: 1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -449.633048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.633048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.633048 (E_RNA)
where:
Base-Base interactions energy: -234.588
where: short stacking energy: -121.248
Base-Backbone interact. energy: 10.368
local terms energy: -225.413098
where:
bonds (distance) C4'-P energy: -72.272
bonds (distance) P-C4' energy: -54.726
flat angles C4'-P-C4' energy: -67.504
flat angles P-C4'-P energy: -38.896
tors. eta vs tors. theta energy: 7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -302.125320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.125320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.125320 (E_RNA)
where:
Base-Base interactions energy: -92.615
where: short stacking energy: -72.801
Base-Backbone interact. energy: -0.396
local terms energy: -209.114260
where:
bonds (distance) C4'-P energy: -58.782
bonds (distance) P-C4' energy: -71.141
flat angles C4'-P-C4' energy: -63.235
flat angles P-C4'-P energy: -29.060
tors. eta vs tors. theta energy: 13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1384.040369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.040369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.040369 (E_RNA)
where:
Base-Base interactions energy: -958.429
where: short stacking energy: -395.637
Base-Backbone interact. energy: -2.387
local terms energy: -423.224403
where:
bonds (distance) C4'-P energy: -74.398
bonds (distance) P-C4' energy: -83.098
flat angles C4'-P-C4' energy: -91.326
flat angles P-C4'-P energy: -47.646
tors. eta vs tors. theta energy: -126.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1392.428977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.428977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.428977 (E_RNA)
where:
Base-Base interactions energy: -958.058
where: short stacking energy: -411.578
Base-Backbone interact. energy: 0.790
local terms energy: -435.161733
where:
bonds (distance) C4'-P energy: -76.375
bonds (distance) P-C4' energy: -76.449
flat angles C4'-P-C4' energy: -98.201
flat angles P-C4'-P energy: -61.557
tors. eta vs tors. theta energy: -122.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1324.936243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.936243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.936243 (E_RNA)
where:
Base-Base interactions energy: -905.108
where: short stacking energy: -380.606
Base-Backbone interact. energy: -2.519
local terms energy: -417.309216
where:
bonds (distance) C4'-P energy: -78.354
bonds (distance) P-C4' energy: -74.847
flat angles C4'-P-C4' energy: -91.529
flat angles P-C4'-P energy: -51.671
tors. eta vs tors. theta energy: -120.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1215.879836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.879836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.879836 (E_RNA)
where:
Base-Base interactions energy: -832.760
where: short stacking energy: -358.560
Base-Backbone interact. energy: -1.259
local terms energy: -381.861478
where:
bonds (distance) C4'-P energy: -56.253
bonds (distance) P-C4' energy: -70.297
flat angles C4'-P-C4' energy: -89.772
flat angles P-C4'-P energy: -59.187
tors. eta vs tors. theta energy: -106.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1129.918841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.918841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.918841 (E_RNA)
where:
Base-Base interactions energy: -781.649
where: short stacking energy: -328.836
Base-Backbone interact. energy: -2.535
local terms energy: -345.734512
where:
bonds (distance) C4'-P energy: -63.241
bonds (distance) P-C4' energy: -72.942
flat angles C4'-P-C4' energy: -82.367
flat angles P-C4'-P energy: -51.032
tors. eta vs tors. theta energy: -76.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1088.004510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.004510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.004510 (E_RNA)
where:
Base-Base interactions energy: -738.993
where: short stacking energy: -314.227
Base-Backbone interact. energy: -0.924
local terms energy: -348.087494
where:
bonds (distance) C4'-P energy: -69.131
bonds (distance) P-C4' energy: -69.981
flat angles C4'-P-C4' energy: -78.364
flat angles P-C4'-P energy: -40.096
tors. eta vs tors. theta energy: -90.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -816.753969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.753969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.753969 (E_RNA)
where:
Base-Base interactions energy: -500.588
where: short stacking energy: -199.836
Base-Backbone interact. energy: -2.530
local terms energy: -313.635814
where:
bonds (distance) C4'-P energy: -74.746
bonds (distance) P-C4' energy: -80.756
flat angles C4'-P-C4' energy: -71.287
flat angles P-C4'-P energy: -37.512
tors. eta vs tors. theta energy: -49.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -542.820285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.820285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.820285 (E_RNA)
where:
Base-Base interactions energy: -281.190
where: short stacking energy: -152.061
Base-Backbone interact. energy: 6.050
local terms energy: -267.680815
where:
bonds (distance) C4'-P energy: -67.341
bonds (distance) P-C4' energy: -70.199
flat angles C4'-P-C4' energy: -69.782
flat angles P-C4'-P energy: -30.227
tors. eta vs tors. theta energy: -30.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -430.614588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.614588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.614588 (E_RNA)
where:
Base-Base interactions energy: -212.577
where: short stacking energy: -119.713
Base-Backbone interact. energy: 0.710
local terms energy: -218.748041
where:
bonds (distance) C4'-P energy: -67.917
bonds (distance) P-C4' energy: -58.049
flat angles C4'-P-C4' energy: -56.940
flat angles P-C4'-P energy: -39.800
tors. eta vs tors. theta energy: 3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -324.666693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.666693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.666693 (E_RNA)
where:
Base-Base interactions energy: -110.339
where: short stacking energy: -91.353
Base-Backbone interact. energy: 1.361
local terms energy: -215.688313
where:
bonds (distance) C4'-P energy: -65.084
bonds (distance) P-C4' energy: -71.723
flat angles C4'-P-C4' energy: -63.055
flat angles P-C4'-P energy: -29.984
tors. eta vs tors. theta energy: 14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 502
Temperature: 0.900000
Total energy: -1399.958249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.958249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.958249 (E_RNA)
where:
Base-Base interactions energy: -961.014
where: short stacking energy: -403.549
Base-Backbone interact. energy: -1.068
local terms energy: -437.877082
where:
bonds (distance) C4'-P energy: -80.174
bonds (distance) P-C4' energy: -73.997
flat angles C4'-P-C4' energy: -90.326
flat angles P-C4'-P energy: -61.920
tors. eta vs tors. theta energy: -131.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 502
Temperature: 0.950000
Total energy: -1396.083771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.083771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.083771 (E_RNA)
where:
Base-Base interactions energy: -954.766
where: short stacking energy: -412.978
Base-Backbone interact. energy: 0.096
local terms energy: -441.413849
where:
bonds (distance) C4'-P energy: -75.542
bonds (distance) P-C4' energy: -82.956
flat angles C4'-P-C4' energy: -97.471
flat angles P-C4'-P energy: -57.744
tors. eta vs tors. theta energy: -127.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 502
Temperature: 1.000000
Total energy: -1321.098320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.098320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.098320 (E_RNA)
where:
Base-Base interactions energy: -922.883
where: short stacking energy: -383.374
Base-Backbone interact. energy: -0.610
local terms energy: -397.605733
where:
bonds (distance) C4'-P energy: -76.806
bonds (distance) P-C4' energy: -76.793
flat angles C4'-P-C4' energy: -87.588
flat angles P-C4'-P energy: -38.650
tors. eta vs tors. theta energy: -117.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 502
Temperature: 1.050000
Total energy: -1207.453904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.453904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.453904 (E_RNA)
where:
Base-Base interactions energy: -818.922
where: short stacking energy: -348.344
Base-Backbone interact. energy: -0.840
local terms energy: -387.692311
where:
bonds (distance) C4'-P energy: -61.461
bonds (distance) P-C4' energy: -75.355
flat angles C4'-P-C4' energy: -92.084
flat angles P-C4'-P energy: -51.351
tors. eta vs tors. theta energy: -107.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 502
Temperature: 1.100000
Total energy: -1129.615951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.615951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.615951 (E_RNA)
where:
Base-Base interactions energy: -756.180
where: short stacking energy: -322.934
Base-Backbone interact. energy: 8.545
local terms energy: -381.981249
where:
bonds (distance) C4'-P energy: -73.364
bonds (distance) P-C4' energy: -78.726
flat angles C4'-P-C4' energy: -90.424
flat angles P-C4'-P energy: -45.550
tors. eta vs tors. theta energy: -93.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 502
Temperature: 1.150000
Total energy: -1030.677524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.677524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.677524 (E_RNA)
where:
Base-Base interactions energy: -689.434
where: short stacking energy: -291.580
Base-Backbone interact. energy: -1.097
local terms energy: -340.146419
where:
bonds (distance) C4'-P energy: -62.400
bonds (distance) P-C4' energy: -74.866
flat angles C4'-P-C4' energy: -64.145
flat angles P-C4'-P energy: -57.061
tors. eta vs tors. theta energy: -81.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 502
Temperature: 1.200000
Total energy: -795.279265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.279265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.279265 (E_RNA)
where:
Base-Base interactions energy: -496.690
where: short stacking energy: -234.205
Base-Backbone interact. energy: 1.056
local terms energy: -299.646114
where:
bonds (distance) C4'-P energy: -50.880
bonds (distance) P-C4' energy: -77.429
flat angles C4'-P-C4' energy: -75.409
flat angles P-C4'-P energy: -40.433
tors. eta vs tors. theta energy: -55.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 502
Temperature: 1.250000
Total energy: -553.955689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.955689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.955689 (E_RNA)
where:
Base-Base interactions energy: -274.745
where: short stacking energy: -140.810
Base-Backbone interact. energy: 1.292
local terms energy: -280.502218
where:
bonds (distance) C4'-P energy: -73.315
bonds (distance) P-C4' energy: -81.697
flat angles C4'-P-C4' energy: -56.774
flat angles P-C4'-P energy: -47.992
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 502
Temperature: 1.300000
Total energy: -450.252186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.252186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.252186 (E_RNA)
where:
Base-Base interactions energy: -230.123
where: short stacking energy: -119.461
Base-Backbone interact. energy: 2.280
local terms energy: -222.408826
where:
bonds (distance) C4'-P energy: -61.322
bonds (distance) P-C4' energy: -66.778
flat angles C4'-P-C4' energy: -60.774
flat angles P-C4'-P energy: -29.596
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 502
Temperature: 1.350000
Total energy: -337.935933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.935933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.935933 (E_RNA)
where:
Base-Base interactions energy: -121.348
where: short stacking energy: -68.413
Base-Backbone interact. energy: -1.511
local terms energy: -215.077616
where:
bonds (distance) C4'-P energy: -56.353
bonds (distance) P-C4' energy: -80.468
flat angles C4'-P-C4' energy: -57.058
flat angles P-C4'-P energy: -47.664
tors. eta vs tors. theta energy: 26.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 503
Temperature: 0.900000
Total energy: -1417.869082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.869082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.869082 (E_RNA)
where:
Base-Base interactions energy: -978.272
where: short stacking energy: -406.303
Base-Backbone interact. energy: 3.451
local terms energy: -443.048173
where:
bonds (distance) C4'-P energy: -70.443
bonds (distance) P-C4' energy: -91.490
flat angles C4'-P-C4' energy: -84.758
flat angles P-C4'-P energy: -67.074
tors. eta vs tors. theta energy: -129.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 503
Temperature: 0.950000
Total energy: -1379.214966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.214966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.214966 (E_RNA)
where:
Base-Base interactions energy: -937.044
where: short stacking energy: -406.704
Base-Backbone interact. energy: 4.525
local terms energy: -446.695985
where:
bonds (distance) C4'-P energy: -87.692
bonds (distance) P-C4' energy: -75.130
flat angles C4'-P-C4' energy: -100.710
flat angles P-C4'-P energy: -62.498
tors. eta vs tors. theta energy: -120.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 503
Temperature: 1.000000
Total energy: -1312.233210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.233210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.233210 (E_RNA)
where:
Base-Base interactions energy: -891.675
where: short stacking energy: -363.897
Base-Backbone interact. energy: -3.624
local terms energy: -416.934470
where:
bonds (distance) C4'-P energy: -74.631
bonds (distance) P-C4' energy: -71.549
flat angles C4'-P-C4' energy: -94.254
flat angles P-C4'-P energy: -61.057
tors. eta vs tors. theta energy: -115.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 503
Temperature: 1.050000
Total energy: -1226.060194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.060194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.060194 (E_RNA)
where:
Base-Base interactions energy: -831.098
where: short stacking energy: -351.614
Base-Backbone interact. energy: -2.152
local terms energy: -392.809383
where:
bonds (distance) C4'-P energy: -69.912
bonds (distance) P-C4' energy: -77.876
flat angles C4'-P-C4' energy: -86.983
flat angles P-C4'-P energy: -55.193
tors. eta vs tors. theta energy: -102.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 503
Temperature: 1.100000
Total energy: -1129.064340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.064340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.064340 (E_RNA)
where:
Base-Base interactions energy: -792.728
where: short stacking energy: -321.354
Base-Backbone interact. energy: -1.665
local terms energy: -334.671870
where:
bonds (distance) C4'-P energy: -63.373
bonds (distance) P-C4' energy: -69.028
flat angles C4'-P-C4' energy: -81.721
flat angles P-C4'-P energy: -41.540
tors. eta vs tors. theta energy: -79.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 503
Temperature: 1.150000
Total energy: -1073.488179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.488179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.488179 (E_RNA)
where:
Base-Base interactions energy: -700.484
where: short stacking energy: -294.675
Base-Backbone interact. energy: 3.220
local terms energy: -376.224432
where:
bonds (distance) C4'-P energy: -76.719
bonds (distance) P-C4' energy: -80.784
flat angles C4'-P-C4' energy: -78.766
flat angles P-C4'-P energy: -61.767
tors. eta vs tors. theta energy: -78.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 503
Temperature: 1.200000
Total energy: -773.701096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.701096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.701096 (E_RNA)
where:
Base-Base interactions energy: -479.304
where: short stacking energy: -216.810
Base-Backbone interact. energy: -0.790
local terms energy: -293.607321
where:
bonds (distance) C4'-P energy: -70.888
bonds (distance) P-C4' energy: -71.365
flat angles C4'-P-C4' energy: -61.181
flat angles P-C4'-P energy: -39.167
tors. eta vs tors. theta energy: -51.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 503
Temperature: 1.250000
Total energy: -574.028238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.028238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.028238 (E_RNA)
where:
Base-Base interactions energy: -325.682
where: short stacking energy: -179.465
Base-Backbone interact. energy: 1.574
local terms energy: -249.920058
where:
bonds (distance) C4'-P energy: -56.520
bonds (distance) P-C4' energy: -65.414
flat angles C4'-P-C4' energy: -59.361
flat angles P-C4'-P energy: -44.038
tors. eta vs tors. theta energy: -24.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 503
Temperature: 1.300000
Total energy: -450.415191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.415191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.415191 (E_RNA)
where:
Base-Base interactions energy: -209.456
where: short stacking energy: -126.753
Base-Backbone interact. energy: 0.926
local terms energy: -241.885794
where:
bonds (distance) C4'-P energy: -75.973
bonds (distance) P-C4' energy: -75.728
flat angles C4'-P-C4' energy: -49.254
flat angles P-C4'-P energy: -41.731
tors. eta vs tors. theta energy: 0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 503
Temperature: 1.350000
Total energy: -347.715852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.715852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.715852 (E_RNA)
where:
Base-Base interactions energy: -122.772
where: short stacking energy: -79.367
Base-Backbone interact. energy: -0.940
local terms energy: -224.004161
where:
bonds (distance) C4'-P energy: -59.132
bonds (distance) P-C4' energy: -73.174
flat angles C4'-P-C4' energy: -62.583
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: 8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 504
Temperature: 0.900000
Total energy: -1405.624687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.624687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.624687 (E_RNA)
where:
Base-Base interactions energy: -977.495
where: short stacking energy: -389.872
Base-Backbone interact. energy: 1.603
local terms energy: -429.733070
where:
bonds (distance) C4'-P energy: -74.283
bonds (distance) P-C4' energy: -94.062
flat angles C4'-P-C4' energy: -86.737
flat angles P-C4'-P energy: -49.991
tors. eta vs tors. theta energy: -124.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 504
Temperature: 0.950000
Total energy: -1378.079178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.079178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.079178 (E_RNA)
where:
Base-Base interactions energy: -949.982
where: short stacking energy: -399.549
Base-Backbone interact. energy: -0.785
local terms energy: -427.311511
where:
bonds (distance) C4'-P energy: -74.617
bonds (distance) P-C4' energy: -79.608
flat angles C4'-P-C4' energy: -88.682
flat angles P-C4'-P energy: -54.389
tors. eta vs tors. theta energy: -130.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 504
Temperature: 1.000000
Total energy: -1323.470955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.470955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.470955 (E_RNA)
where:
Base-Base interactions energy: -918.535
where: short stacking energy: -381.408
Base-Backbone interact. energy: -0.456
local terms energy: -404.479849
where:
bonds (distance) C4'-P energy: -70.008
bonds (distance) P-C4' energy: -74.879
flat angles C4'-P-C4' energy: -88.639
flat angles P-C4'-P energy: -49.200
tors. eta vs tors. theta energy: -121.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 504
Temperature: 1.050000
Total energy: -1231.479552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.479552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.479552 (E_RNA)
where:
Base-Base interactions energy: -846.025
where: short stacking energy: -343.947
Base-Backbone interact. energy: -1.770
local terms energy: -383.685142
where:
bonds (distance) C4'-P energy: -64.650
bonds (distance) P-C4' energy: -74.042
flat angles C4'-P-C4' energy: -84.271
flat angles P-C4'-P energy: -51.093
tors. eta vs tors. theta energy: -109.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 504
Temperature: 1.100000
Total energy: -1151.196806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.196806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.196806 (E_RNA)
where:
Base-Base interactions energy: -805.536
where: short stacking energy: -338.728
Base-Backbone interact. energy: -3.232
local terms energy: -342.428557
where:
bonds (distance) C4'-P energy: -63.672
bonds (distance) P-C4' energy: -62.383
flat angles C4'-P-C4' energy: -79.548
flat angles P-C4'-P energy: -45.864
tors. eta vs tors. theta energy: -90.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 504
Temperature: 1.150000
Total energy: -1072.063467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.063467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.063467 (E_RNA)
where:
Base-Base interactions energy: -725.537
where: short stacking energy: -303.251
Base-Backbone interact. energy: -1.523
local terms energy: -345.003773
where:
bonds (distance) C4'-P energy: -65.040
bonds (distance) P-C4' energy: -71.685
flat angles C4'-P-C4' energy: -80.545
flat angles P-C4'-P energy: -46.388
tors. eta vs tors. theta energy: -81.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 504
Temperature: 1.200000
Total energy: -804.203008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.203008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.203008 (E_RNA)
where:
Base-Base interactions energy: -494.991
where: short stacking energy: -246.835
Base-Backbone interact. energy: -0.659
local terms energy: -308.553143
where:
bonds (distance) C4'-P energy: -69.249
bonds (distance) P-C4' energy: -68.794
flat angles C4'-P-C4' energy: -82.167
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -56.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 504
Temperature: 1.250000
Total energy: -571.549645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.549645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.549645 (E_RNA)
where:
Base-Base interactions energy: -304.265
where: short stacking energy: -158.515
Base-Backbone interact. energy: -1.889
local terms energy: -265.395558
where:
bonds (distance) C4'-P energy: -66.155
bonds (distance) P-C4' energy: -66.773
flat angles C4'-P-C4' energy: -69.910
flat angles P-C4'-P energy: -48.697
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 504
Temperature: 1.300000
Total energy: -448.504444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.504444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.504444 (E_RNA)
where:
Base-Base interactions energy: -213.261
where: short stacking energy: -133.516
Base-Backbone interact. energy: -0.309
local terms energy: -234.934150
where:
bonds (distance) C4'-P energy: -67.517
bonds (distance) P-C4' energy: -59.966
flat angles C4'-P-C4' energy: -56.875
flat angles P-C4'-P energy: -35.029
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 504
Temperature: 1.350000
Total energy: -331.199539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.199539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.199539 (E_RNA)
where:
Base-Base interactions energy: -124.425
where: short stacking energy: -94.781
Base-Backbone interact. energy: 2.935
local terms energy: -209.709279
where:
bonds (distance) C4'-P energy: -57.384
bonds (distance) P-C4' energy: -70.879
flat angles C4'-P-C4' energy: -54.110
flat angles P-C4'-P energy: -40.835
tors. eta vs tors. theta energy: 13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 505
Temperature: 0.900000
Total energy: -1419.204487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.204487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.204487 (E_RNA)
where:
Base-Base interactions energy: -1001.710
where: short stacking energy: -384.686
Base-Backbone interact. energy: -1.980
local terms energy: -415.514613
where:
bonds (distance) C4'-P energy: -70.650
bonds (distance) P-C4' energy: -76.463
flat angles C4'-P-C4' energy: -87.162
flat angles P-C4'-P energy: -55.873
tors. eta vs tors. theta energy: -125.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 505
Temperature: 0.950000
Total energy: -1378.310679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.310679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.310679 (E_RNA)
where:
Base-Base interactions energy: -967.718
where: short stacking energy: -400.039
Base-Backbone interact. energy: 2.200
local terms energy: -412.793493
where:
bonds (distance) C4'-P energy: -66.861
bonds (distance) P-C4' energy: -73.927
flat angles C4'-P-C4' energy: -86.982
flat angles P-C4'-P energy: -59.649
tors. eta vs tors. theta energy: -125.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 505
Temperature: 1.000000
Total energy: -1345.245797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.245797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.245797 (E_RNA)
where:
Base-Base interactions energy: -934.365
where: short stacking energy: -369.666
Base-Backbone interact. energy: -2.492
local terms energy: -408.388828
where:
bonds (distance) C4'-P energy: -72.186
bonds (distance) P-C4' energy: -70.464
flat angles C4'-P-C4' energy: -88.851
flat angles P-C4'-P energy: -63.688
tors. eta vs tors. theta energy: -113.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 505
Temperature: 1.050000
Total energy: -1215.481502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.481502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.481502 (E_RNA)
where:
Base-Base interactions energy: -800.251
where: short stacking energy: -344.438
Base-Backbone interact. energy: -3.928
local terms energy: -411.301909
where:
bonds (distance) C4'-P energy: -81.096
bonds (distance) P-C4' energy: -83.668
flat angles C4'-P-C4' energy: -80.874
flat angles P-C4'-P energy: -54.602
tors. eta vs tors. theta energy: -111.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 505
Temperature: 1.100000
Total energy: -1148.008046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.008046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.008046 (E_RNA)
where:
Base-Base interactions energy: -797.541
where: short stacking energy: -314.928
Base-Backbone interact. energy: -1.438
local terms energy: -349.028745
where:
bonds (distance) C4'-P energy: -69.523
bonds (distance) P-C4' energy: -67.432
flat angles C4'-P-C4' energy: -69.534
flat angles P-C4'-P energy: -50.763
tors. eta vs tors. theta energy: -91.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 505
Temperature: 1.150000
Total energy: -1051.724819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.724819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.724819 (E_RNA)
where:
Base-Base interactions energy: -701.900
where: short stacking energy: -295.603
Base-Backbone interact. energy: -0.725
local terms energy: -349.099840
where:
bonds (distance) C4'-P energy: -72.662
bonds (distance) P-C4' energy: -73.663
flat angles C4'-P-C4' energy: -80.793
flat angles P-C4'-P energy: -43.456
tors. eta vs tors. theta energy: -78.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 505
Temperature: 1.200000
Total energy: -783.172135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.172135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.172135 (E_RNA)
where:
Base-Base interactions energy: -481.799
where: short stacking energy: -227.775
Base-Backbone interact. energy: 1.923
local terms energy: -303.296010
where:
bonds (distance) C4'-P energy: -81.614
bonds (distance) P-C4' energy: -74.142
flat angles C4'-P-C4' energy: -59.122
flat angles P-C4'-P energy: -33.588
tors. eta vs tors. theta energy: -54.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 505
Temperature: 1.250000
Total energy: -573.237733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.237733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.237733 (E_RNA)
where:
Base-Base interactions energy: -323.976
where: short stacking energy: -192.434
Base-Backbone interact. energy: -1.092
local terms energy: -248.169989
where:
bonds (distance) C4'-P energy: -65.189
bonds (distance) P-C4' energy: -49.335
flat angles C4'-P-C4' energy: -60.224
flat angles P-C4'-P energy: -43.502
tors. eta vs tors. theta energy: -29.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 505
Temperature: 1.300000
Total energy: -413.517895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.517895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.517895 (E_RNA)
where:
Base-Base interactions energy: -190.190
where: short stacking energy: -118.741
Base-Backbone interact. energy: -0.930
local terms energy: -222.397593
where:
bonds (distance) C4'-P energy: -54.320
bonds (distance) P-C4' energy: -67.435
flat angles C4'-P-C4' energy: -58.387
flat angles P-C4'-P energy: -35.761
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 505
Temperature: 1.350000
Total energy: -308.009770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.009770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.009770 (E_RNA)
where:
Base-Base interactions energy: -101.503
where: short stacking energy: -83.562
Base-Backbone interact. energy: 0.618
local terms energy: -207.124487
where:
bonds (distance) C4'-P energy: -67.232
bonds (distance) P-C4' energy: -65.225
flat angles C4'-P-C4' energy: -51.026
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: 18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 506
Temperature: 0.900000
Total energy: -1407.711309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.711309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.711309 (E_RNA)
where:
Base-Base interactions energy: -961.267
where: short stacking energy: -389.968
Base-Backbone interact. energy: -0.236
local terms energy: -446.208746
where:
bonds (distance) C4'-P energy: -80.468
bonds (distance) P-C4' energy: -73.719
flat angles C4'-P-C4' energy: -92.285
flat angles P-C4'-P energy: -69.105
tors. eta vs tors. theta energy: -130.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 506
Temperature: 0.950000
Total energy: -1380.905149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.905149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.905149 (E_RNA)
where:
Base-Base interactions energy: -951.306
where: short stacking energy: -386.232
Base-Backbone interact. energy: 0.857
local terms energy: -430.456146
where:
bonds (distance) C4'-P energy: -80.495
bonds (distance) P-C4' energy: -73.801
flat angles C4'-P-C4' energy: -93.355
flat angles P-C4'-P energy: -64.695
tors. eta vs tors. theta energy: -118.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 506
Temperature: 1.000000
Total energy: -1316.803141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.803141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.803141 (E_RNA)
where:
Base-Base interactions energy: -919.215
where: short stacking energy: -372.080
Base-Backbone interact. energy: -2.910
local terms energy: -394.678022
where:
bonds (distance) C4'-P energy: -67.745
bonds (distance) P-C4' energy: -74.066
flat angles C4'-P-C4' energy: -82.846
flat angles P-C4'-P energy: -51.126
tors. eta vs tors. theta energy: -118.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 506
Temperature: 1.050000
Total energy: -1226.153305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.153305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.153305 (E_RNA)
where:
Base-Base interactions energy: -829.407
where: short stacking energy: -332.721
Base-Backbone interact. energy: -2.556
local terms energy: -394.190087
where:
bonds (distance) C4'-P energy: -74.872
bonds (distance) P-C4' energy: -80.482
flat angles C4'-P-C4' energy: -87.719
flat angles P-C4'-P energy: -43.896
tors. eta vs tors. theta energy: -107.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 506
Temperature: 1.100000
Total energy: -1171.676709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.676709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.676709 (E_RNA)
where:
Base-Base interactions energy: -806.920
where: short stacking energy: -331.916
Base-Backbone interact. energy: -2.091
local terms energy: -362.666023
where:
bonds (distance) C4'-P energy: -62.913
bonds (distance) P-C4' energy: -78.418
flat angles C4'-P-C4' energy: -77.811
flat angles P-C4'-P energy: -51.587
tors. eta vs tors. theta energy: -91.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 506
Temperature: 1.150000
Total energy: -1095.534645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.534645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.534645 (E_RNA)
where:
Base-Base interactions energy: -748.550
where: short stacking energy: -318.295
Base-Backbone interact. energy: 4.364
local terms energy: -351.349136
where:
bonds (distance) C4'-P energy: -53.052
bonds (distance) P-C4' energy: -77.555
flat angles C4'-P-C4' energy: -79.119
flat angles P-C4'-P energy: -43.858
tors. eta vs tors. theta energy: -97.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 506
Temperature: 1.200000
Total energy: -768.310533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.310533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.310533 (E_RNA)
where:
Base-Base interactions energy: -475.091
where: short stacking energy: -219.688
Base-Backbone interact. energy: -0.378
local terms energy: -292.841799
where:
bonds (distance) C4'-P energy: -67.473
bonds (distance) P-C4' energy: -66.634
flat angles C4'-P-C4' energy: -70.723
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -48.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 506
Temperature: 1.250000
Total energy: -559.194688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.194688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.194688 (E_RNA)
where:
Base-Base interactions energy: -305.232
where: short stacking energy: -172.789
Base-Backbone interact. energy: 1.970
local terms energy: -255.932846
where:
bonds (distance) C4'-P energy: -68.403
bonds (distance) P-C4' energy: -68.605
flat angles C4'-P-C4' energy: -54.372
flat angles P-C4'-P energy: -48.217
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 506
Temperature: 1.300000
Total energy: -386.320874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.320874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.320874 (E_RNA)
where:
Base-Base interactions energy: -172.281
where: short stacking energy: -122.233
Base-Backbone interact. energy: 1.648
local terms energy: -215.687290
where:
bonds (distance) C4'-P energy: -53.935
bonds (distance) P-C4' energy: -72.899
flat angles C4'-P-C4' energy: -59.076
flat angles P-C4'-P energy: -35.952
tors. eta vs tors. theta energy: 6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 506
Temperature: 1.350000
Total energy: -417.525508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.525508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.525508 (E_RNA)
where:
Base-Base interactions energy: -230.894
where: short stacking energy: -147.038
Base-Backbone interact. energy: 1.478
local terms energy: -188.109417
where:
bonds (distance) C4'-P energy: -59.258
bonds (distance) P-C4' energy: -54.026
flat angles C4'-P-C4' energy: -47.666
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 507
Temperature: 0.900000
Total energy: -1416.392795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.392795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.392795 (E_RNA)
where:
Base-Base interactions energy: -970.820
where: short stacking energy: -405.463
Base-Backbone interact. energy: -0.974
local terms energy: -444.598387
where:
bonds (distance) C4'-P energy: -83.014
bonds (distance) P-C4' energy: -78.411
flat angles C4'-P-C4' energy: -89.224
flat angles P-C4'-P energy: -65.740
tors. eta vs tors. theta energy: -128.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 507
Temperature: 0.950000
Total energy: -1388.544247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.544247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.544247 (E_RNA)
where:
Base-Base interactions energy: -961.789
where: short stacking energy: -397.217
Base-Backbone interact. energy: -1.124
local terms energy: -425.631084
where:
bonds (distance) C4'-P energy: -70.268
bonds (distance) P-C4' energy: -79.940
flat angles C4'-P-C4' energy: -96.278
flat angles P-C4'-P energy: -55.201
tors. eta vs tors. theta energy: -123.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 507
Temperature: 1.000000
Total energy: -1312.112194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.112194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.112194 (E_RNA)
where:
Base-Base interactions energy: -883.710
where: short stacking energy: -372.088
Base-Backbone interact. energy: -1.055
local terms energy: -427.347997
where:
bonds (distance) C4'-P energy: -82.855
bonds (distance) P-C4' energy: -71.921
flat angles C4'-P-C4' energy: -97.697
flat angles P-C4'-P energy: -55.454
tors. eta vs tors. theta energy: -119.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 507
Temperature: 1.050000
Total energy: -1235.723071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.723071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.723071 (E_RNA)
where:
Base-Base interactions energy: -836.790
where: short stacking energy: -358.069
Base-Backbone interact. energy: -0.730
local terms energy: -398.203375
where:
bonds (distance) C4'-P energy: -63.777
bonds (distance) P-C4' energy: -76.935
flat angles C4'-P-C4' energy: -88.176
flat angles P-C4'-P energy: -50.787
tors. eta vs tors. theta energy: -118.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 507
Temperature: 1.100000
Total energy: -1173.236555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.236555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.236555 (E_RNA)
where:
Base-Base interactions energy: -805.265
where: short stacking energy: -316.139
Base-Backbone interact. energy: 1.375
local terms energy: -369.347107
where:
bonds (distance) C4'-P energy: -74.369
bonds (distance) P-C4' energy: -81.390
flat angles C4'-P-C4' energy: -71.988
flat angles P-C4'-P energy: -48.076
tors. eta vs tors. theta energy: -93.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 507
Temperature: 1.150000
Total energy: -1083.150405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.150405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.150405 (E_RNA)
where:
Base-Base interactions energy: -749.026
where: short stacking energy: -316.473
Base-Backbone interact. energy: -0.968
local terms energy: -333.155591
where:
bonds (distance) C4'-P energy: -72.230
bonds (distance) P-C4' energy: -64.399
flat angles C4'-P-C4' energy: -76.164
flat angles P-C4'-P energy: -38.197
tors. eta vs tors. theta energy: -82.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 507
Temperature: 1.200000
Total energy: -820.177097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.177097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.177097 (E_RNA)
where:
Base-Base interactions energy: -497.403
where: short stacking energy: -237.314
Base-Backbone interact. energy: -1.650
local terms energy: -321.124042
where:
bonds (distance) C4'-P energy: -72.557
bonds (distance) P-C4' energy: -77.348
flat angles C4'-P-C4' energy: -68.293
flat angles P-C4'-P energy: -50.994
tors. eta vs tors. theta energy: -51.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 507
Temperature: 1.250000
Total energy: -648.490278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.490278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.490278 (E_RNA)
where:
Base-Base interactions energy: -359.724
where: short stacking energy: -181.956
Base-Backbone interact. energy: 1.839
local terms energy: -290.605174
where:
bonds (distance) C4'-P energy: -78.414
bonds (distance) P-C4' energy: -71.269
flat angles C4'-P-C4' energy: -71.454
flat angles P-C4'-P energy: -39.765
tors. eta vs tors. theta energy: -29.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 507
Temperature: 1.300000
Total energy: -338.163562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.163562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.163562 (E_RNA)
where:
Base-Base interactions energy: -128.171
where: short stacking energy: -90.886
Base-Backbone interact. energy: -0.962
local terms energy: -209.030777
where:
bonds (distance) C4'-P energy: -44.474
bonds (distance) P-C4' energy: -74.474
flat angles C4'-P-C4' energy: -66.763
flat angles P-C4'-P energy: -37.037
tors. eta vs tors. theta energy: 13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 507
Temperature: 1.350000
Total energy: -432.567240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.567240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.567240 (E_RNA)
where:
Base-Base interactions energy: -196.665
where: short stacking energy: -112.964
Base-Backbone interact. energy: -2.068
local terms energy: -233.833611
where:
bonds (distance) C4'-P energy: -61.569
bonds (distance) P-C4' energy: -76.750
flat angles C4'-P-C4' energy: -68.103
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: 8.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 508
Temperature: 0.900000
Total energy: -1412.769333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.769333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.769333 (E_RNA)
where:
Base-Base interactions energy: -976.726
where: short stacking energy: -432.885
Base-Backbone interact. energy: -0.816
local terms energy: -435.227408
where:
bonds (distance) C4'-P energy: -76.110
bonds (distance) P-C4' energy: -89.315
flat angles C4'-P-C4' energy: -81.121
flat angles P-C4'-P energy: -51.248
tors. eta vs tors. theta energy: -137.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 508
Temperature: 0.950000
Total energy: -1370.420245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.420245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.420245 (E_RNA)
where:
Base-Base interactions energy: -947.945
where: short stacking energy: -396.011
Base-Backbone interact. energy: -1.586
local terms energy: -420.889034
where:
bonds (distance) C4'-P energy: -72.393
bonds (distance) P-C4' energy: -73.955
flat angles C4'-P-C4' energy: -90.278
flat angles P-C4'-P energy: -52.926
tors. eta vs tors. theta energy: -131.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 508
Temperature: 1.000000
Total energy: -1332.198400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.198400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.198400 (E_RNA)
where:
Base-Base interactions energy: -906.651
where: short stacking energy: -378.297
Base-Backbone interact. energy: -1.511
local terms energy: -424.035576
where:
bonds (distance) C4'-P energy: -88.662
bonds (distance) P-C4' energy: -71.504
flat angles C4'-P-C4' energy: -86.642
flat angles P-C4'-P energy: -55.721
tors. eta vs tors. theta energy: -121.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 508
Temperature: 1.050000
Total energy: -1193.622865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.622865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.622865 (E_RNA)
where:
Base-Base interactions energy: -812.836
where: short stacking energy: -327.640
Base-Backbone interact. energy: -0.446
local terms energy: -380.340755
where:
bonds (distance) C4'-P energy: -73.108
bonds (distance) P-C4' energy: -62.162
flat angles C4'-P-C4' energy: -80.517
flat angles P-C4'-P energy: -62.791
tors. eta vs tors. theta energy: -101.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 508
Temperature: 1.100000
Total energy: -1172.458062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.458062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.458062 (E_RNA)
where:
Base-Base interactions energy: -825.776
where: short stacking energy: -297.527
Base-Backbone interact. energy: -2.508
local terms energy: -344.173772
where:
bonds (distance) C4'-P energy: -64.589
bonds (distance) P-C4' energy: -65.805
flat angles C4'-P-C4' energy: -69.118
flat angles P-C4'-P energy: -50.622
tors. eta vs tors. theta energy: -94.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 508
Temperature: 1.150000
Total energy: -1100.791245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.791245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.791245 (E_RNA)
where:
Base-Base interactions energy: -758.758
where: short stacking energy: -331.837
Base-Backbone interact. energy: 0.744
local terms energy: -342.777020
where:
bonds (distance) C4'-P energy: -66.690
bonds (distance) P-C4' energy: -54.930
flat angles C4'-P-C4' energy: -79.091
flat angles P-C4'-P energy: -47.470
tors. eta vs tors. theta energy: -94.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 508
Temperature: 1.200000
Total energy: -822.509121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.509121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.509121 (E_RNA)
where:
Base-Base interactions energy: -521.641
where: short stacking energy: -235.131
Base-Backbone interact. energy: -0.984
local terms energy: -299.884856
where:
bonds (distance) C4'-P energy: -54.650
bonds (distance) P-C4' energy: -72.818
flat angles C4'-P-C4' energy: -79.482
flat angles P-C4'-P energy: -29.644
tors. eta vs tors. theta energy: -63.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 508
Temperature: 1.250000
Total energy: -619.048984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.048984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.048984 (E_RNA)
where:
Base-Base interactions energy: -349.606
where: short stacking energy: -170.072
Base-Backbone interact. energy: -1.355
local terms energy: -268.088013
where:
bonds (distance) C4'-P energy: -84.444
bonds (distance) P-C4' energy: -79.261
flat angles C4'-P-C4' energy: -60.061
flat angles P-C4'-P energy: -34.500
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 508
Temperature: 1.300000
Total energy: -450.406940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.406940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.406940 (E_RNA)
where:
Base-Base interactions energy: -205.903
where: short stacking energy: -123.294
Base-Backbone interact. energy: -0.841
local terms energy: -243.663459
where:
bonds (distance) C4'-P energy: -70.406
bonds (distance) P-C4' energy: -70.603
flat angles C4'-P-C4' energy: -72.430
flat angles P-C4'-P energy: -37.530
tors. eta vs tors. theta energy: 7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 508
Temperature: 1.350000
Total energy: -304.207305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.207305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.207305 (E_RNA)
where:
Base-Base interactions energy: -93.298
where: short stacking energy: -59.620
Base-Backbone interact. energy: -1.356
local terms energy: -209.553899
where:
bonds (distance) C4'-P energy: -46.937
bonds (distance) P-C4' energy: -75.502
flat angles C4'-P-C4' energy: -61.940
flat angles P-C4'-P energy: -37.522
tors. eta vs tors. theta energy: 12.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 509
Temperature: 0.900000
Total energy: -1427.117736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.117736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.117736 (E_RNA)
where:
Base-Base interactions energy: -973.753
where: short stacking energy: -428.836
Base-Backbone interact. energy: -0.936
local terms energy: -452.428543
where:
bonds (distance) C4'-P energy: -83.715
bonds (distance) P-C4' energy: -84.423
flat angles C4'-P-C4' energy: -92.137
flat angles P-C4'-P energy: -60.607
tors. eta vs tors. theta energy: -131.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 509
Temperature: 0.950000
Total energy: -1343.517443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.517443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.517443 (E_RNA)
where:
Base-Base interactions energy: -933.204
where: short stacking energy: -363.192
Base-Backbone interact. energy: -1.995
local terms energy: -408.319042
where:
bonds (distance) C4'-P energy: -76.002
bonds (distance) P-C4' energy: -72.945
flat angles C4'-P-C4' energy: -87.462
flat angles P-C4'-P energy: -59.130
tors. eta vs tors. theta energy: -112.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 509
Temperature: 1.000000
Total energy: -1334.292912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.292912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.292912 (E_RNA)
where:
Base-Base interactions energy: -922.438
where: short stacking energy: -362.146
Base-Backbone interact. energy: 1.299
local terms energy: -413.154083
where:
bonds (distance) C4'-P energy: -78.789
bonds (distance) P-C4' energy: -85.853
flat angles C4'-P-C4' energy: -81.924
flat angles P-C4'-P energy: -53.933
tors. eta vs tors. theta energy: -112.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 509
Temperature: 1.050000
Total energy: -1192.934108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.934108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.934108 (E_RNA)
where:
Base-Base interactions energy: -828.305
where: short stacking energy: -344.323
Base-Backbone interact. energy: 3.020
local terms energy: -367.649054
where:
bonds (distance) C4'-P energy: -72.733
bonds (distance) P-C4' energy: -64.585
flat angles C4'-P-C4' energy: -77.713
flat angles P-C4'-P energy: -57.798
tors. eta vs tors. theta energy: -94.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 509
Temperature: 1.100000
Total energy: -1157.134972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.134972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.134972 (E_RNA)
where:
Base-Base interactions energy: -792.711
where: short stacking energy: -319.720
Base-Backbone interact. energy: -1.970
local terms energy: -362.454329
where:
bonds (distance) C4'-P energy: -63.929
bonds (distance) P-C4' energy: -75.207
flat angles C4'-P-C4' energy: -79.078
flat angles P-C4'-P energy: -56.197
tors. eta vs tors. theta energy: -88.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 509
Temperature: 1.150000
Total energy: -1117.184093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.184093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.184093 (E_RNA)
where:
Base-Base interactions energy: -755.211
where: short stacking energy: -309.358
Base-Backbone interact. energy: -1.615
local terms energy: -360.357758
where:
bonds (distance) C4'-P energy: -62.644
bonds (distance) P-C4' energy: -71.586
flat angles C4'-P-C4' energy: -73.782
flat angles P-C4'-P energy: -54.718
tors. eta vs tors. theta energy: -97.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 509
Temperature: 1.200000
Total energy: -782.659117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.659117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.659117 (E_RNA)
where:
Base-Base interactions energy: -472.107
where: short stacking energy: -230.318
Base-Backbone interact. energy: -1.572
local terms energy: -308.980513
where:
bonds (distance) C4'-P energy: -59.712
bonds (distance) P-C4' energy: -75.333
flat angles C4'-P-C4' energy: -68.984
flat angles P-C4'-P energy: -50.570
tors. eta vs tors. theta energy: -54.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 509
Temperature: 1.250000
Total energy: -604.988568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.988568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.988568 (E_RNA)
where:
Base-Base interactions energy: -366.855
where: short stacking energy: -182.587
Base-Backbone interact. energy: -1.835
local terms energy: -236.299190
where:
bonds (distance) C4'-P energy: -48.613
bonds (distance) P-C4' energy: -68.239
flat angles C4'-P-C4' energy: -55.735
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 509
Temperature: 1.300000
Total energy: -450.893956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.893956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.893956 (E_RNA)
where:
Base-Base interactions energy: -191.760
where: short stacking energy: -116.968
Base-Backbone interact. energy: -0.331
local terms energy: -258.802891
where:
bonds (distance) C4'-P energy: -67.832
bonds (distance) P-C4' energy: -77.147
flat angles C4'-P-C4' energy: -63.468
flat angles P-C4'-P energy: -42.774
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 509
Temperature: 1.350000
Total energy: -315.552914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.552914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.552914 (E_RNA)
where:
Base-Base interactions energy: -113.168
where: short stacking energy: -94.207
Base-Backbone interact. energy: -1.132
local terms energy: -201.253231
where:
bonds (distance) C4'-P energy: -63.780
bonds (distance) P-C4' energy: -68.434
flat angles C4'-P-C4' energy: -62.815
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: 15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 510
Temperature: 0.900000
Total energy: -1440.299784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.299784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.299784 (E_RNA)
where:
Base-Base interactions energy: -995.121
where: short stacking energy: -427.960
Base-Backbone interact. energy: 1.009
local terms energy: -446.187621
where:
bonds (distance) C4'-P energy: -79.961
bonds (distance) P-C4' energy: -80.208
flat angles C4'-P-C4' energy: -89.773
flat angles P-C4'-P energy: -62.026
tors. eta vs tors. theta energy: -134.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 510
Temperature: 0.950000
Total energy: -1349.293265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.293265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.293265 (E_RNA)
where:
Base-Base interactions energy: -937.980
where: short stacking energy: -373.487
Base-Backbone interact. energy: -5.292
local terms energy: -406.021587
where:
bonds (distance) C4'-P energy: -71.367
bonds (distance) P-C4' energy: -75.759
flat angles C4'-P-C4' energy: -87.588
flat angles P-C4'-P energy: -58.699
tors. eta vs tors. theta energy: -112.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 510
Temperature: 1.000000
Total energy: -1351.373447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.373447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.373447 (E_RNA)
where:
Base-Base interactions energy: -931.845
where: short stacking energy: -384.582
Base-Backbone interact. energy: -0.828
local terms energy: -418.700536
where:
bonds (distance) C4'-P energy: -71.211
bonds (distance) P-C4' energy: -80.466
flat angles C4'-P-C4' energy: -92.333
flat angles P-C4'-P energy: -58.793
tors. eta vs tors. theta energy: -115.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 510
Temperature: 1.050000
Total energy: -1204.936384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.936384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.936384 (E_RNA)
where:
Base-Base interactions energy: -818.300
where: short stacking energy: -345.605
Base-Backbone interact. energy: -2.366
local terms energy: -384.269560
where:
bonds (distance) C4'-P energy: -65.546
bonds (distance) P-C4' energy: -74.749
flat angles C4'-P-C4' energy: -84.681
flat angles P-C4'-P energy: -51.312
tors. eta vs tors. theta energy: -107.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 510
Temperature: 1.100000
Total energy: -1167.753248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.753248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.753248 (E_RNA)
where:
Base-Base interactions energy: -804.437
where: short stacking energy: -320.238
Base-Backbone interact. energy: 0.927
local terms energy: -364.242608
where:
bonds (distance) C4'-P energy: -73.123
bonds (distance) P-C4' energy: -81.116
flat angles C4'-P-C4' energy: -76.427
flat angles P-C4'-P energy: -49.568
tors. eta vs tors. theta energy: -84.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 510
Temperature: 1.150000
Total energy: -1058.572447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.572447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.572447 (E_RNA)
where:
Base-Base interactions energy: -688.591
where: short stacking energy: -280.577
Base-Backbone interact. energy: -1.172
local terms energy: -368.809467
where:
bonds (distance) C4'-P energy: -68.447
bonds (distance) P-C4' energy: -81.370
flat angles C4'-P-C4' energy: -85.831
flat angles P-C4'-P energy: -51.124
tors. eta vs tors. theta energy: -82.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 510
Temperature: 1.200000
Total energy: -780.785258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.785258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.785258 (E_RNA)
where:
Base-Base interactions energy: -481.217
where: short stacking energy: -217.038
Base-Backbone interact. energy: -1.127
local terms energy: -298.441771
where:
bonds (distance) C4'-P energy: -63.409
bonds (distance) P-C4' energy: -74.234
flat angles C4'-P-C4' energy: -82.558
flat angles P-C4'-P energy: -36.837
tors. eta vs tors. theta energy: -41.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 510
Temperature: 1.250000
Total energy: -613.382387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.382387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.382387 (E_RNA)
where:
Base-Base interactions energy: -360.255
where: short stacking energy: -176.861
Base-Backbone interact. energy: -0.678
local terms energy: -252.449143
where:
bonds (distance) C4'-P energy: -62.248
bonds (distance) P-C4' energy: -70.053
flat angles C4'-P-C4' energy: -56.668
flat angles P-C4'-P energy: -34.285
tors. eta vs tors. theta energy: -29.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 510
Temperature: 1.300000
Total energy: -448.422504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.422504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.422504 (E_RNA)
where:
Base-Base interactions energy: -214.018
where: short stacking energy: -125.163
Base-Backbone interact. energy: 1.856
local terms energy: -236.260290
where:
bonds (distance) C4'-P energy: -64.525
bonds (distance) P-C4' energy: -69.108
flat angles C4'-P-C4' energy: -58.889
flat angles P-C4'-P energy: -41.212
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 510
Temperature: 1.350000
Total energy: -313.418058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.418058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.418058 (E_RNA)
where:
Base-Base interactions energy: -101.803
where: short stacking energy: -84.008
Base-Backbone interact. energy: 1.110
local terms energy: -212.725602
where:
bonds (distance) C4'-P energy: -60.564
bonds (distance) P-C4' energy: -68.562
flat angles C4'-P-C4' energy: -62.391
flat angles P-C4'-P energy: -27.536
tors. eta vs tors. theta energy: 6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 511
Temperature: 0.900000
Total energy: -1425.620975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.620975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.620975 (E_RNA)
where:
Base-Base interactions energy: -982.419
where: short stacking energy: -430.488
Base-Backbone interact. energy: -0.331
local terms energy: -442.871037
where:
bonds (distance) C4'-P energy: -84.866
bonds (distance) P-C4' energy: -71.189
flat angles C4'-P-C4' energy: -85.854
flat angles P-C4'-P energy: -73.152
tors. eta vs tors. theta energy: -127.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 511
Temperature: 0.950000
Total energy: -1362.055369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.055369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.055369 (E_RNA)
where:
Base-Base interactions energy: -941.210
where: short stacking energy: -391.881
Base-Backbone interact. energy: -1.012
local terms energy: -419.833333
where:
bonds (distance) C4'-P energy: -75.783
bonds (distance) P-C4' energy: -76.043
flat angles C4'-P-C4' energy: -85.827
flat angles P-C4'-P energy: -63.059
tors. eta vs tors. theta energy: -119.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 511
Temperature: 1.000000
Total energy: -1344.256448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.256448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.256448 (E_RNA)
where:
Base-Base interactions energy: -919.611
where: short stacking energy: -379.213
Base-Backbone interact. energy: -1.330
local terms energy: -423.314966
where:
bonds (distance) C4'-P energy: -60.720
bonds (distance) P-C4' energy: -81.830
flat angles C4'-P-C4' energy: -95.716
flat angles P-C4'-P energy: -62.249
tors. eta vs tors. theta energy: -122.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 511
Temperature: 1.050000
Total energy: -1200.881825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.881825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.881825 (E_RNA)
where:
Base-Base interactions energy: -829.183
where: short stacking energy: -322.564
Base-Backbone interact. energy: -2.659
local terms energy: -369.039834
where:
bonds (distance) C4'-P energy: -64.832
bonds (distance) P-C4' energy: -76.407
flat angles C4'-P-C4' energy: -86.867
flat angles P-C4'-P energy: -44.537
tors. eta vs tors. theta energy: -96.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 511
Temperature: 1.100000
Total energy: -1167.107403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.107403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.107403 (E_RNA)
where:
Base-Base interactions energy: -793.795
where: short stacking energy: -329.546
Base-Backbone interact. energy: -0.070
local terms energy: -373.242787
where:
bonds (distance) C4'-P energy: -63.925
bonds (distance) P-C4' energy: -75.147
flat angles C4'-P-C4' energy: -81.192
flat angles P-C4'-P energy: -52.212
tors. eta vs tors. theta energy: -100.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 511
Temperature: 1.150000
Total energy: -1035.955996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.955996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.955996 (E_RNA)
where:
Base-Base interactions energy: -678.795
where: short stacking energy: -288.295
Base-Backbone interact. energy: 1.787
local terms energy: -358.948532
where:
bonds (distance) C4'-P energy: -62.450
bonds (distance) P-C4' energy: -71.902
flat angles C4'-P-C4' energy: -88.436
flat angles P-C4'-P energy: -58.495
tors. eta vs tors. theta energy: -77.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 511
Temperature: 1.200000
Total energy: -781.789112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.789112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.789112 (E_RNA)
where:
Base-Base interactions energy: -465.576
where: short stacking energy: -225.035
Base-Backbone interact. energy: 0.613
local terms energy: -316.826721
where:
bonds (distance) C4'-P energy: -72.247
bonds (distance) P-C4' energy: -71.793
flat angles C4'-P-C4' energy: -82.321
flat angles P-C4'-P energy: -33.262
tors. eta vs tors. theta energy: -57.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 511
Temperature: 1.250000
Total energy: -562.832910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.832910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.832910 (E_RNA)
where:
Base-Base interactions energy: -295.103
where: short stacking energy: -160.341
Base-Backbone interact. energy: 1.543
local terms energy: -269.272323
where:
bonds (distance) C4'-P energy: -69.421
bonds (distance) P-C4' energy: -77.234
flat angles C4'-P-C4' energy: -57.468
flat angles P-C4'-P energy: -45.338
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 511
Temperature: 1.300000
Total energy: -422.072326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.072326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.072326 (E_RNA)
where:
Base-Base interactions energy: -183.879
where: short stacking energy: -109.441
Base-Backbone interact. energy: -2.340
local terms energy: -235.853349
where:
bonds (distance) C4'-P energy: -63.065
bonds (distance) P-C4' energy: -72.338
flat angles C4'-P-C4' energy: -58.201
flat angles P-C4'-P energy: -43.810
tors. eta vs tors. theta energy: 1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 511
Temperature: 1.350000
Total energy: -292.285299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.285299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.285299 (E_RNA)
where:
Base-Base interactions energy: -82.312
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.494
local terms energy: -209.479211
where:
bonds (distance) C4'-P energy: -74.764
bonds (distance) P-C4' energy: -64.818
flat angles C4'-P-C4' energy: -47.218
flat angles P-C4'-P energy: -36.654
tors. eta vs tors. theta energy: 13.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 512
Temperature: 0.900000
Total energy: -1420.688599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.688599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.688599 (E_RNA)
where:
Base-Base interactions energy: -978.798
where: short stacking energy: -410.773
Base-Backbone interact. energy: -1.090
local terms energy: -440.799933
where:
bonds (distance) C4'-P energy: -83.603
bonds (distance) P-C4' energy: -76.173
flat angles C4'-P-C4' energy: -91.405
flat angles P-C4'-P energy: -60.208
tors. eta vs tors. theta energy: -129.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 512
Temperature: 0.950000
Total energy: -1327.217202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.217202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.217202 (E_RNA)
where:
Base-Base interactions energy: -913.932
where: short stacking energy: -368.159
Base-Backbone interact. energy: -1.021
local terms energy: -412.264429
where:
bonds (distance) C4'-P energy: -80.323
bonds (distance) P-C4' energy: -78.199
flat angles C4'-P-C4' energy: -88.974
flat angles P-C4'-P energy: -53.300
tors. eta vs tors. theta energy: -111.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 512
Temperature: 1.000000
Total energy: -1349.359987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.359987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.359987 (E_RNA)
where:
Base-Base interactions energy: -922.736
where: short stacking energy: -383.992
Base-Backbone interact. energy: -0.750
local terms energy: -425.873463
where:
bonds (distance) C4'-P energy: -79.056
bonds (distance) P-C4' energy: -81.976
flat angles C4'-P-C4' energy: -81.709
flat angles P-C4'-P energy: -52.610
tors. eta vs tors. theta energy: -130.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 512
Temperature: 1.050000
Total energy: -1202.804090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.804090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.804090 (E_RNA)
where:
Base-Base interactions energy: -822.222
where: short stacking energy: -342.536
Base-Backbone interact. energy: -0.130
local terms energy: -380.451405
where:
bonds (distance) C4'-P energy: -82.607
bonds (distance) P-C4' energy: -73.555
flat angles C4'-P-C4' energy: -82.546
flat angles P-C4'-P energy: -53.879
tors. eta vs tors. theta energy: -87.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 512
Temperature: 1.100000
Total energy: -1185.248182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.248182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.248182 (E_RNA)
where:
Base-Base interactions energy: -793.858
where: short stacking energy: -345.638
Base-Backbone interact. energy: -1.606
local terms energy: -389.784600
where:
bonds (distance) C4'-P energy: -63.991
bonds (distance) P-C4' energy: -85.321
flat angles C4'-P-C4' energy: -80.792
flat angles P-C4'-P energy: -55.348
tors. eta vs tors. theta energy: -104.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 512
Temperature: 1.150000
Total energy: -1058.777663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.777663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.777663 (E_RNA)
where:
Base-Base interactions energy: -703.898
where: short stacking energy: -321.579
Base-Backbone interact. energy: 4.438
local terms energy: -359.317806
where:
bonds (distance) C4'-P energy: -65.473
bonds (distance) P-C4' energy: -71.611
flat angles C4'-P-C4' energy: -87.412
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -98.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 512
Temperature: 1.200000
Total energy: -803.196668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.196668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.196668 (E_RNA)
where:
Base-Base interactions energy: -497.422
where: short stacking energy: -218.006
Base-Backbone interact. energy: -0.858
local terms energy: -304.916461
where:
bonds (distance) C4'-P energy: -68.195
bonds (distance) P-C4' energy: -79.381
flat angles C4'-P-C4' energy: -77.683
flat angles P-C4'-P energy: -46.834
tors. eta vs tors. theta energy: -32.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 512
Temperature: 1.250000
Total energy: -512.869000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.869000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.869000 (E_RNA)
where:
Base-Base interactions energy: -257.459
where: short stacking energy: -132.971
Base-Backbone interact. energy: -0.531
local terms energy: -254.879763
where:
bonds (distance) C4'-P energy: -60.716
bonds (distance) P-C4' energy: -67.436
flat angles C4'-P-C4' energy: -71.535
flat angles P-C4'-P energy: -40.716
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 512
Temperature: 1.300000
Total energy: -404.643714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.643714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.643714 (E_RNA)
where:
Base-Base interactions energy: -199.607
where: short stacking energy: -95.720
Base-Backbone interact. energy: -1.266
local terms energy: -203.770659
where:
bonds (distance) C4'-P energy: -51.989
bonds (distance) P-C4' energy: -65.567
flat angles C4'-P-C4' energy: -66.175
flat angles P-C4'-P energy: -31.173
tors. eta vs tors. theta energy: 11.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 512
Temperature: 1.350000
Total energy: -331.995263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.995263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.995263 (E_RNA)
where:
Base-Base interactions energy: -117.929
where: short stacking energy: -87.821
Base-Backbone interact. energy: 4.081
local terms energy: -218.147555
where:
bonds (distance) C4'-P energy: -63.953
bonds (distance) P-C4' energy: -73.061
flat angles C4'-P-C4' energy: -57.697
flat angles P-C4'-P energy: -33.769
tors. eta vs tors. theta energy: 10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 513
Temperature: 0.900000
Total energy: -1424.541140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.541140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.541140 (E_RNA)
where:
Base-Base interactions energy: -980.882
where: short stacking energy: -411.342
Base-Backbone interact. energy: 0.469
local terms energy: -444.128186
where:
bonds (distance) C4'-P energy: -80.353
bonds (distance) P-C4' energy: -78.075
flat angles C4'-P-C4' energy: -96.903
flat angles P-C4'-P energy: -62.215
tors. eta vs tors. theta energy: -126.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 513
Temperature: 0.950000
Total energy: -1400.123324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.123324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.123324 (E_RNA)
where:
Base-Base interactions energy: -969.202
where: short stacking energy: -402.411
Base-Backbone interact. energy: -2.688
local terms energy: -428.233310
where:
bonds (distance) C4'-P energy: -71.740
bonds (distance) P-C4' energy: -80.563
flat angles C4'-P-C4' energy: -88.751
flat angles P-C4'-P energy: -50.912
tors. eta vs tors. theta energy: -136.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 513
Temperature: 1.000000
Total energy: -1304.189094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.189094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.189094 (E_RNA)
where:
Base-Base interactions energy: -884.008
where: short stacking energy: -361.051
Base-Backbone interact. energy: -1.104
local terms energy: -419.077901
where:
bonds (distance) C4'-P energy: -77.712
bonds (distance) P-C4' energy: -79.687
flat angles C4'-P-C4' energy: -89.608
flat angles P-C4'-P energy: -58.165
tors. eta vs tors. theta energy: -113.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 513
Temperature: 1.050000
Total energy: -1223.105817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.105817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.105817 (E_RNA)
where:
Base-Base interactions energy: -851.690
where: short stacking energy: -340.755
Base-Backbone interact. energy: 0.157
local terms energy: -371.573446
where:
bonds (distance) C4'-P energy: -70.645
bonds (distance) P-C4' energy: -68.215
flat angles C4'-P-C4' energy: -77.793
flat angles P-C4'-P energy: -54.782
tors. eta vs tors. theta energy: -100.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 513
Temperature: 1.100000
Total energy: -1153.319578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.319578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.319578 (E_RNA)
where:
Base-Base interactions energy: -787.948
where: short stacking energy: -350.799
Base-Backbone interact. energy: 0.646
local terms energy: -366.017702
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -72.706
flat angles C4'-P-C4' energy: -86.040
flat angles P-C4'-P energy: -45.011
tors. eta vs tors. theta energy: -107.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 513
Temperature: 1.150000
Total energy: -1047.412342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.412342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.412342 (E_RNA)
where:
Base-Base interactions energy: -680.077
where: short stacking energy: -294.520
Base-Backbone interact. energy: 2.559
local terms energy: -369.894574
where:
bonds (distance) C4'-P energy: -64.960
bonds (distance) P-C4' energy: -79.025
flat angles C4'-P-C4' energy: -86.165
flat angles P-C4'-P energy: -49.428
tors. eta vs tors. theta energy: -90.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 513
Temperature: 1.200000
Total energy: -843.393527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.393527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.393527 (E_RNA)
where:
Base-Base interactions energy: -512.862
where: short stacking energy: -227.836
Base-Backbone interact. energy: -0.245
local terms energy: -330.285670
where:
bonds (distance) C4'-P energy: -72.523
bonds (distance) P-C4' energy: -70.315
flat angles C4'-P-C4' energy: -72.667
flat angles P-C4'-P energy: -37.822
tors. eta vs tors. theta energy: -76.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 513
Temperature: 1.250000
Total energy: -513.409440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.409440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.409440 (E_RNA)
where:
Base-Base interactions energy: -271.267
where: short stacking energy: -146.428
Base-Backbone interact. energy: 0.503
local terms energy: -242.644827
where:
bonds (distance) C4'-P energy: -70.567
bonds (distance) P-C4' energy: -74.557
flat angles C4'-P-C4' energy: -58.027
flat angles P-C4'-P energy: -38.852
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 513
Temperature: 1.300000
Total energy: -366.083760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.083760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.083760 (E_RNA)
where:
Base-Base interactions energy: -141.095
where: short stacking energy: -102.863
Base-Backbone interact. energy: -1.852
local terms energy: -223.136529
where:
bonds (distance) C4'-P energy: -56.199
bonds (distance) P-C4' energy: -75.212
flat angles C4'-P-C4' energy: -57.749
flat angles P-C4'-P energy: -40.704
tors. eta vs tors. theta energy: 6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 513
Temperature: 1.350000
Total energy: -320.407793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.407793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.407793 (E_RNA)
where:
Base-Base interactions energy: -100.264
where: short stacking energy: -92.256
Base-Backbone interact. energy: 2.257
local terms energy: -222.400997
where:
bonds (distance) C4'-P energy: -72.746
bonds (distance) P-C4' energy: -69.227
flat angles C4'-P-C4' energy: -45.867
flat angles P-C4'-P energy: -35.728
tors. eta vs tors. theta energy: 1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 514
Temperature: 0.900000
Total energy: -1417.384413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.384413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.384413 (E_RNA)
where:
Base-Base interactions energy: -973.647
where: short stacking energy: -413.944
Base-Backbone interact. energy: -0.759
local terms energy: -442.978676
where:
bonds (distance) C4'-P energy: -79.277
bonds (distance) P-C4' energy: -89.682
flat angles C4'-P-C4' energy: -84.375
flat angles P-C4'-P energy: -58.805
tors. eta vs tors. theta energy: -130.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 514
Temperature: 0.950000
Total energy: -1404.744087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.744087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.744087 (E_RNA)
where:
Base-Base interactions energy: -950.746
where: short stacking energy: -413.339
Base-Backbone interact. energy: -2.437
local terms energy: -451.560843
where:
bonds (distance) C4'-P energy: -67.058
bonds (distance) P-C4' energy: -89.531
flat angles C4'-P-C4' energy: -102.351
flat angles P-C4'-P energy: -63.754
tors. eta vs tors. theta energy: -128.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 514
Temperature: 1.000000
Total energy: -1329.120887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.120887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.120887 (E_RNA)
where:
Base-Base interactions energy: -914.476
where: short stacking energy: -367.635
Base-Backbone interact. energy: -2.163
local terms energy: -412.482233
where:
bonds (distance) C4'-P energy: -79.128
bonds (distance) P-C4' energy: -68.954
flat angles C4'-P-C4' energy: -86.518
flat angles P-C4'-P energy: -60.971
tors. eta vs tors. theta energy: -116.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 514
Temperature: 1.050000
Total energy: -1229.314903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.314903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.314903 (E_RNA)
where:
Base-Base interactions energy: -844.511
where: short stacking energy: -326.073
Base-Backbone interact. energy: 0.306
local terms energy: -385.110006
where:
bonds (distance) C4'-P energy: -75.002
bonds (distance) P-C4' energy: -72.098
flat angles C4'-P-C4' energy: -80.083
flat angles P-C4'-P energy: -60.316
tors. eta vs tors. theta energy: -97.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 514
Temperature: 1.100000
Total energy: -1157.280611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.280611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.280611 (E_RNA)
where:
Base-Base interactions energy: -784.308
where: short stacking energy: -344.933
Base-Backbone interact. energy: 0.157
local terms energy: -373.130060
where:
bonds (distance) C4'-P energy: -59.117
bonds (distance) P-C4' energy: -81.356
flat angles C4'-P-C4' energy: -71.253
flat angles P-C4'-P energy: -53.042
tors. eta vs tors. theta energy: -108.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 514
Temperature: 1.150000
Total energy: -1041.642097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.642097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.642097 (E_RNA)
where:
Base-Base interactions energy: -683.582
where: short stacking energy: -294.496
Base-Backbone interact. energy: 0.617
local terms energy: -358.677562
where:
bonds (distance) C4'-P energy: -74.475
bonds (distance) P-C4' energy: -72.139
flat angles C4'-P-C4' energy: -71.308
flat angles P-C4'-P energy: -53.541
tors. eta vs tors. theta energy: -87.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 514
Temperature: 1.200000
Total energy: -865.427421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.427421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.427421 (E_RNA)
where:
Base-Base interactions energy: -538.582
where: short stacking energy: -252.130
Base-Backbone interact. energy: -0.037
local terms energy: -326.808957
where:
bonds (distance) C4'-P energy: -68.917
bonds (distance) P-C4' energy: -71.597
flat angles C4'-P-C4' energy: -67.259
flat angles P-C4'-P energy: -47.395
tors. eta vs tors. theta energy: -71.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 514
Temperature: 1.250000
Total energy: -504.553085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.553085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.553085 (E_RNA)
where:
Base-Base interactions energy: -257.465
where: short stacking energy: -132.893
Base-Backbone interact. energy: -1.063
local terms energy: -246.025577
where:
bonds (distance) C4'-P energy: -64.900
bonds (distance) P-C4' energy: -72.134
flat angles C4'-P-C4' energy: -67.291
flat angles P-C4'-P energy: -35.276
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 514
Temperature: 1.300000
Total energy: -345.054285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.054285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.054285 (E_RNA)
where:
Base-Base interactions energy: -112.807
where: short stacking energy: -101.867
Base-Backbone interact. energy: 1.380
local terms energy: -233.627349
where:
bonds (distance) C4'-P energy: -60.477
bonds (distance) P-C4' energy: -71.206
flat angles C4'-P-C4' energy: -62.407
flat angles P-C4'-P energy: -28.070
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 514
Temperature: 1.350000
Total energy: -316.562061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.562061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.562061 (E_RNA)
where:
Base-Base interactions energy: -118.527
where: short stacking energy: -99.332
Base-Backbone interact. energy: -0.162
local terms energy: -197.872193
where:
bonds (distance) C4'-P energy: -51.374
bonds (distance) P-C4' energy: -60.679
flat angles C4'-P-C4' energy: -72.099
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: 13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 515
Temperature: 0.900000
Total energy: -1384.541619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.541619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.541619 (E_RNA)
where:
Base-Base interactions energy: -957.024
where: short stacking energy: -392.050
Base-Backbone interact. energy: -1.636
local terms energy: -425.881472
where:
bonds (distance) C4'-P energy: -75.196
bonds (distance) P-C4' energy: -84.409
flat angles C4'-P-C4' energy: -86.361
flat angles P-C4'-P energy: -58.932
tors. eta vs tors. theta energy: -120.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 515
Temperature: 0.950000
Total energy: -1356.283990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.283990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.283990 (E_RNA)
where:
Base-Base interactions energy: -946.572
where: short stacking energy: -376.830
Base-Backbone interact. energy: 0.439
local terms energy: -410.150872
where:
bonds (distance) C4'-P energy: -73.720
bonds (distance) P-C4' energy: -75.619
flat angles C4'-P-C4' energy: -87.563
flat angles P-C4'-P energy: -52.924
tors. eta vs tors. theta energy: -120.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 515
Temperature: 1.000000
Total energy: -1363.290487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.290487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.290487 (E_RNA)
where:
Base-Base interactions energy: -931.584
where: short stacking energy: -394.011
Base-Backbone interact. energy: -0.902
local terms energy: -430.804574
where:
bonds (distance) C4'-P energy: -79.944
bonds (distance) P-C4' energy: -81.224
flat angles C4'-P-C4' energy: -93.038
flat angles P-C4'-P energy: -49.208
tors. eta vs tors. theta energy: -127.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 515
Temperature: 1.050000
Total energy: -1208.869399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.869399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.869399 (E_RNA)
where:
Base-Base interactions energy: -834.929
where: short stacking energy: -328.940
Base-Backbone interact. energy: 3.620
local terms energy: -377.561103
where:
bonds (distance) C4'-P energy: -72.709
bonds (distance) P-C4' energy: -77.273
flat angles C4'-P-C4' energy: -80.493
flat angles P-C4'-P energy: -58.274
tors. eta vs tors. theta energy: -88.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 515
Temperature: 1.100000
Total energy: -1206.716532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.716532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.716532 (E_RNA)
where:
Base-Base interactions energy: -844.431
where: short stacking energy: -352.807
Base-Backbone interact. energy: -1.164
local terms energy: -361.121135
where:
bonds (distance) C4'-P energy: -73.224
bonds (distance) P-C4' energy: -64.942
flat angles C4'-P-C4' energy: -81.314
flat angles P-C4'-P energy: -41.733
tors. eta vs tors. theta energy: -99.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 515
Temperature: 1.150000
Total energy: -1055.359406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.359406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.359406 (E_RNA)
where:
Base-Base interactions energy: -714.892
where: short stacking energy: -312.890
Base-Backbone interact. energy: -1.731
local terms energy: -338.736442
where:
bonds (distance) C4'-P energy: -60.009
bonds (distance) P-C4' energy: -78.550
flat angles C4'-P-C4' energy: -72.626
flat angles P-C4'-P energy: -39.560
tors. eta vs tors. theta energy: -87.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 515
Temperature: 1.200000
Total energy: -839.073958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.073958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.073958 (E_RNA)
where:
Base-Base interactions energy: -517.996
where: short stacking energy: -229.967
Base-Backbone interact. energy: 0.722
local terms energy: -321.800688
where:
bonds (distance) C4'-P energy: -57.854
bonds (distance) P-C4' energy: -60.655
flat angles C4'-P-C4' energy: -90.084
flat angles P-C4'-P energy: -53.516
tors. eta vs tors. theta energy: -59.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 515
Temperature: 1.250000
Total energy: -545.676313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.676313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.676313 (E_RNA)
where:
Base-Base interactions energy: -283.623
where: short stacking energy: -157.994
Base-Backbone interact. energy: 3.968
local terms energy: -266.021944
where:
bonds (distance) C4'-P energy: -76.331
bonds (distance) P-C4' energy: -66.015
flat angles C4'-P-C4' energy: -64.597
flat angles P-C4'-P energy: -38.371
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 515
Temperature: 1.300000
Total energy: -346.424506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.424506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.424506 (E_RNA)
where:
Base-Base interactions energy: -143.444
where: short stacking energy: -94.121
Base-Backbone interact. energy: 6.112
local terms energy: -209.092237
where:
bonds (distance) C4'-P energy: -68.382
bonds (distance) P-C4' energy: -70.287
flat angles C4'-P-C4' energy: -63.175
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: 7.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 515
Temperature: 1.350000
Total energy: -332.861125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.861125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.861125 (E_RNA)
where:
Base-Base interactions energy: -134.092
where: short stacking energy: -95.284
Base-Backbone interact. energy: -0.531
local terms energy: -198.238182
where:
bonds (distance) C4'-P energy: -67.643
bonds (distance) P-C4' energy: -65.370
flat angles C4'-P-C4' energy: -39.313
flat angles P-C4'-P energy: -40.160
tors. eta vs tors. theta energy: 14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 516
Temperature: 0.900000
Total energy: -1386.965163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.965163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.965163 (E_RNA)
where:
Base-Base interactions energy: -939.518
where: short stacking energy: -388.878
Base-Backbone interact. energy: -2.710
local terms energy: -444.737199
where:
bonds (distance) C4'-P energy: -92.443
bonds (distance) P-C4' energy: -86.550
flat angles C4'-P-C4' energy: -86.619
flat angles P-C4'-P energy: -58.444
tors. eta vs tors. theta energy: -120.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 516
Temperature: 0.950000
Total energy: -1377.679304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.679304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.679304 (E_RNA)
where:
Base-Base interactions energy: -955.751
where: short stacking energy: -392.094
Base-Backbone interact. energy: -1.035
local terms energy: -420.893678
where:
bonds (distance) C4'-P energy: -81.248
bonds (distance) P-C4' energy: -79.215
flat angles C4'-P-C4' energy: -90.074
flat angles P-C4'-P energy: -47.794
tors. eta vs tors. theta energy: -122.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 516
Temperature: 1.000000
Total energy: -1377.737105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.737105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.737105 (E_RNA)
where:
Base-Base interactions energy: -960.922
where: short stacking energy: -391.536
Base-Backbone interact. energy: -1.061
local terms energy: -415.753755
where:
bonds (distance) C4'-P energy: -65.549
bonds (distance) P-C4' energy: -84.023
flat angles C4'-P-C4' energy: -86.749
flat angles P-C4'-P energy: -56.877
tors. eta vs tors. theta energy: -122.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 516
Temperature: 1.050000
Total energy: -1233.813482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.813482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.813482 (E_RNA)
where:
Base-Base interactions energy: -857.465
where: short stacking energy: -336.379
Base-Backbone interact. energy: 0.555
local terms energy: -376.903460
where:
bonds (distance) C4'-P energy: -73.936
bonds (distance) P-C4' energy: -78.774
flat angles C4'-P-C4' energy: -83.394
flat angles P-C4'-P energy: -40.015
tors. eta vs tors. theta energy: -100.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 516
Temperature: 1.100000
Total energy: -1178.136543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.136543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.136543 (E_RNA)
where:
Base-Base interactions energy: -815.485
where: short stacking energy: -344.180
Base-Backbone interact. energy: 4.501
local terms energy: -367.152581
where:
bonds (distance) C4'-P energy: -69.942
bonds (distance) P-C4' energy: -69.373
flat angles C4'-P-C4' energy: -77.960
flat angles P-C4'-P energy: -53.157
tors. eta vs tors. theta energy: -96.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 516
Temperature: 1.150000
Total energy: -1048.979876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.979876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.979876 (E_RNA)
where:
Base-Base interactions energy: -702.847
where: short stacking energy: -294.382
Base-Backbone interact. energy: -0.633
local terms energy: -345.499627
where:
bonds (distance) C4'-P energy: -66.034
bonds (distance) P-C4' energy: -77.081
flat angles C4'-P-C4' energy: -72.332
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -88.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 516
Temperature: 1.200000
Total energy: -819.597843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.597843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.597843 (E_RNA)
where:
Base-Base interactions energy: -515.003
where: short stacking energy: -228.383
Base-Backbone interact. energy: -0.479
local terms energy: -304.114972
where:
bonds (distance) C4'-P energy: -73.479
bonds (distance) P-C4' energy: -65.874
flat angles C4'-P-C4' energy: -71.380
flat angles P-C4'-P energy: -42.785
tors. eta vs tors. theta energy: -50.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 516
Temperature: 1.250000
Total energy: -545.319359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.319359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.319359 (E_RNA)
where:
Base-Base interactions energy: -313.123
where: short stacking energy: -171.200
Base-Backbone interact. energy: -0.906
local terms energy: -231.290275
where:
bonds (distance) C4'-P energy: -62.869
bonds (distance) P-C4' energy: -64.480
flat angles C4'-P-C4' energy: -53.968
flat angles P-C4'-P energy: -33.032
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 516
Temperature: 1.300000
Total energy: -343.354165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.354165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.354165 (E_RNA)
where:
Base-Base interactions energy: -106.409
where: short stacking energy: -73.752
Base-Backbone interact. energy: -1.242
local terms energy: -235.703383
where:
bonds (distance) C4'-P energy: -83.249
bonds (distance) P-C4' energy: -66.626
flat angles C4'-P-C4' energy: -61.790
flat angles P-C4'-P energy: -36.077
tors. eta vs tors. theta energy: 12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 516
Temperature: 1.350000
Total energy: -314.366246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.366246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.366246 (E_RNA)
where:
Base-Base interactions energy: -93.949
where: short stacking energy: -77.872
Base-Backbone interact. energy: -1.170
local terms energy: -219.247306
where:
bonds (distance) C4'-P energy: -63.127
bonds (distance) P-C4' energy: -70.156
flat angles C4'-P-C4' energy: -62.674
flat angles P-C4'-P energy: -45.244
tors. eta vs tors. theta energy: 21.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 517
Temperature: 0.900000
Total energy: -1396.300905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.300905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.300905 (E_RNA)
where:
Base-Base interactions energy: -973.325
where: short stacking energy: -394.625
Base-Backbone interact. energy: 0.645
local terms energy: -423.621350
where:
bonds (distance) C4'-P energy: -81.047
bonds (distance) P-C4' energy: -81.208
flat angles C4'-P-C4' energy: -90.357
flat angles P-C4'-P energy: -52.358
tors. eta vs tors. theta energy: -118.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 517
Temperature: 0.950000
Total energy: -1386.170396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.170396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.170396 (E_RNA)
where:
Base-Base interactions energy: -970.746
where: short stacking energy: -409.128
Base-Backbone interact. energy: -2.373
local terms energy: -413.051276
where:
bonds (distance) C4'-P energy: -75.946
bonds (distance) P-C4' energy: -76.542
flat angles C4'-P-C4' energy: -82.892
flat angles P-C4'-P energy: -55.358
tors. eta vs tors. theta energy: -122.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 517
Temperature: 1.000000
Total energy: -1355.673541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.673541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.673541 (E_RNA)
where:
Base-Base interactions energy: -932.585
where: short stacking energy: -407.954
Base-Backbone interact. energy: -1.631
local terms energy: -421.456865
where:
bonds (distance) C4'-P energy: -66.910
bonds (distance) P-C4' energy: -84.036
flat angles C4'-P-C4' energy: -90.902
flat angles P-C4'-P energy: -59.106
tors. eta vs tors. theta energy: -120.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 517
Temperature: 1.050000
Total energy: -1229.934497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.934497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.934497 (E_RNA)
where:
Base-Base interactions energy: -848.740
where: short stacking energy: -340.336
Base-Backbone interact. energy: -0.673
local terms energy: -380.521320
where:
bonds (distance) C4'-P energy: -82.758
bonds (distance) P-C4' energy: -74.994
flat angles C4'-P-C4' energy: -83.255
flat angles P-C4'-P energy: -47.278
tors. eta vs tors. theta energy: -92.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 517
Temperature: 1.100000
Total energy: -1217.709320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.709320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.709320 (E_RNA)
where:
Base-Base interactions energy: -845.190
where: short stacking energy: -353.149
Base-Backbone interact. energy: 5.854
local terms energy: -378.372609
where:
bonds (distance) C4'-P energy: -72.173
bonds (distance) P-C4' energy: -63.818
flat angles C4'-P-C4' energy: -81.527
flat angles P-C4'-P energy: -57.758
tors. eta vs tors. theta energy: -103.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 517
Temperature: 1.150000
Total energy: -1086.960811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.960811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.960811 (E_RNA)
where:
Base-Base interactions energy: -717.599
where: short stacking energy: -320.211
Base-Backbone interact. energy: -0.664
local terms energy: -368.697977
where:
bonds (distance) C4'-P energy: -62.564
bonds (distance) P-C4' energy: -77.410
flat angles C4'-P-C4' energy: -80.295
flat angles P-C4'-P energy: -47.937
tors. eta vs tors. theta energy: -100.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 517
Temperature: 1.200000
Total energy: -849.013565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.013565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.013565 (E_RNA)
where:
Base-Base interactions energy: -536.891
where: short stacking energy: -236.129
Base-Backbone interact. energy: 1.151
local terms energy: -313.274016
where:
bonds (distance) C4'-P energy: -53.028
bonds (distance) P-C4' energy: -81.660
flat angles C4'-P-C4' energy: -77.640
flat angles P-C4'-P energy: -48.924
tors. eta vs tors. theta energy: -52.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 517
Temperature: 1.250000
Total energy: -518.029943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.029943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.029943 (E_RNA)
where:
Base-Base interactions energy: -248.650
where: short stacking energy: -134.655
Base-Backbone interact. energy: -1.959
local terms energy: -267.421453
where:
bonds (distance) C4'-P energy: -76.181
bonds (distance) P-C4' energy: -62.721
flat angles C4'-P-C4' energy: -70.640
flat angles P-C4'-P energy: -43.143
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 517
Temperature: 1.300000
Total energy: -337.862232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.862232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.862232 (E_RNA)
where:
Base-Base interactions energy: -103.791
where: short stacking energy: -75.634
Base-Backbone interact. energy: -0.158
local terms energy: -233.912847
where:
bonds (distance) C4'-P energy: -76.591
bonds (distance) P-C4' energy: -66.500
flat angles C4'-P-C4' energy: -60.898
flat angles P-C4'-P energy: -34.269
tors. eta vs tors. theta energy: 4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 517
Temperature: 1.350000
Total energy: -322.130732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.130732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.130732 (E_RNA)
where:
Base-Base interactions energy: -104.227
where: short stacking energy: -97.066
Base-Backbone interact. energy: -0.085
local terms energy: -217.818932
where:
bonds (distance) C4'-P energy: -74.534
bonds (distance) P-C4' energy: -61.904
flat angles C4'-P-C4' energy: -56.403
flat angles P-C4'-P energy: -35.129
tors. eta vs tors. theta energy: 10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 518
Temperature: 0.900000
Total energy: -1414.240402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.240402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.240402 (E_RNA)
where:
Base-Base interactions energy: -982.502
where: short stacking energy: -398.059
Base-Backbone interact. energy: -1.730
local terms energy: -430.007533
where:
bonds (distance) C4'-P energy: -78.158
bonds (distance) P-C4' energy: -89.020
flat angles C4'-P-C4' energy: -83.752
flat angles P-C4'-P energy: -50.399
tors. eta vs tors. theta energy: -128.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 518
Temperature: 0.950000
Total energy: -1343.605881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.605881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.605881 (E_RNA)
where:
Base-Base interactions energy: -924.712
where: short stacking energy: -379.549
Base-Backbone interact. energy: 0.568
local terms energy: -419.461288
where:
bonds (distance) C4'-P energy: -77.696
bonds (distance) P-C4' energy: -77.382
flat angles C4'-P-C4' energy: -91.391
flat angles P-C4'-P energy: -53.802
tors. eta vs tors. theta energy: -119.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 518
Temperature: 1.000000
Total energy: -1331.264326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.264326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.264326 (E_RNA)
where:
Base-Base interactions energy: -896.739
where: short stacking energy: -385.681
Base-Backbone interact. energy: -0.080
local terms energy: -434.445001
where:
bonds (distance) C4'-P energy: -71.240
bonds (distance) P-C4' energy: -87.104
flat angles C4'-P-C4' energy: -84.191
flat angles P-C4'-P energy: -59.294
tors. eta vs tors. theta energy: -132.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 518
Temperature: 1.050000
Total energy: -1214.486838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.486838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.486838 (E_RNA)
where:
Base-Base interactions energy: -832.357
where: short stacking energy: -325.464
Base-Backbone interact. energy: 2.060
local terms energy: -384.190057
where:
bonds (distance) C4'-P energy: -76.228
bonds (distance) P-C4' energy: -87.298
flat angles C4'-P-C4' energy: -78.309
flat angles P-C4'-P energy: -52.876
tors. eta vs tors. theta energy: -89.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 518
Temperature: 1.100000
Total energy: -1202.619033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.619033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.619033 (E_RNA)
where:
Base-Base interactions energy: -831.091
where: short stacking energy: -331.116
Base-Backbone interact. energy: -1.128
local terms energy: -370.399839
where:
bonds (distance) C4'-P energy: -64.996
bonds (distance) P-C4' energy: -74.664
flat angles C4'-P-C4' energy: -81.917
flat angles P-C4'-P energy: -46.325
tors. eta vs tors. theta energy: -102.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 518
Temperature: 1.150000
Total energy: -1103.650165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.650165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.650165 (E_RNA)
where:
Base-Base interactions energy: -735.750
where: short stacking energy: -325.785
Base-Backbone interact. energy: -1.580
local terms energy: -366.319472
where:
bonds (distance) C4'-P energy: -66.969
bonds (distance) P-C4' energy: -64.024
flat angles C4'-P-C4' energy: -82.898
flat angles P-C4'-P energy: -50.088
tors. eta vs tors. theta energy: -102.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 518
Temperature: 1.200000
Total energy: -884.638401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.638401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.638401 (E_RNA)
where:
Base-Base interactions energy: -573.619
where: short stacking energy: -262.334
Base-Backbone interact. energy: -1.570
local terms energy: -309.449557
where:
bonds (distance) C4'-P energy: -59.356
bonds (distance) P-C4' energy: -68.568
flat angles C4'-P-C4' energy: -73.800
flat angles P-C4'-P energy: -44.879
tors. eta vs tors. theta energy: -62.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 518
Temperature: 1.250000
Total energy: -588.367212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.367212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.367212 (E_RNA)
where:
Base-Base interactions energy: -309.501
where: short stacking energy: -149.982
Base-Backbone interact. energy: -1.075
local terms energy: -277.790625
where:
bonds (distance) C4'-P energy: -62.380
bonds (distance) P-C4' energy: -74.603
flat angles C4'-P-C4' energy: -71.799
flat angles P-C4'-P energy: -46.891
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 518
Temperature: 1.300000
Total energy: -339.048623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.048623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.048623 (E_RNA)
where:
Base-Base interactions energy: -117.380
where: short stacking energy: -82.688
Base-Backbone interact. energy: -2.821
local terms energy: -218.847593
where:
bonds (distance) C4'-P energy: -72.239
bonds (distance) P-C4' energy: -69.103
flat angles C4'-P-C4' energy: -54.602
flat angles P-C4'-P energy: -30.616
tors. eta vs tors. theta energy: 7.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 518
Temperature: 1.350000
Total energy: -347.798736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.798736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.798736 (E_RNA)
where:
Base-Base interactions energy: -135.245
where: short stacking energy: -96.726
Base-Backbone interact. energy: -1.268
local terms energy: -211.285388
where:
bonds (distance) C4'-P energy: -55.424
bonds (distance) P-C4' energy: -51.844
flat angles C4'-P-C4' energy: -49.396
flat angles P-C4'-P energy: -52.225
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 519
Temperature: 0.900000
Total energy: -1403.098076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.098076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.098076 (E_RNA)
where:
Base-Base interactions energy: -968.171
where: short stacking energy: -399.135
Base-Backbone interact. energy: -1.608
local terms energy: -433.319342
where:
bonds (distance) C4'-P energy: -81.994
bonds (distance) P-C4' energy: -80.934
flat angles C4'-P-C4' energy: -86.502
flat angles P-C4'-P energy: -52.102
tors. eta vs tors. theta energy: -131.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 519
Temperature: 0.950000
Total energy: -1341.294505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.294505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.294505 (E_RNA)
where:
Base-Base interactions energy: -934.072
where: short stacking energy: -380.509
Base-Backbone interact. energy: -2.412
local terms energy: -404.810779
where:
bonds (distance) C4'-P energy: -64.954
bonds (distance) P-C4' energy: -73.102
flat angles C4'-P-C4' energy: -92.266
flat angles P-C4'-P energy: -59.900
tors. eta vs tors. theta energy: -114.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 519
Temperature: 1.000000
Total energy: -1378.643497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.643497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.643497 (E_RNA)
where:
Base-Base interactions energy: -969.194
where: short stacking energy: -416.449
Base-Backbone interact. energy: 2.257
local terms energy: -411.705736
where:
bonds (distance) C4'-P energy: -71.792
bonds (distance) P-C4' energy: -73.401
flat angles C4'-P-C4' energy: -90.004
flat angles P-C4'-P energy: -54.208
tors. eta vs tors. theta energy: -122.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 519
Temperature: 1.050000
Total energy: -1258.504914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.504914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.504914 (E_RNA)
where:
Base-Base interactions energy: -847.209
where: short stacking energy: -368.669
Base-Backbone interact. energy: -4.168
local terms energy: -407.127930
where:
bonds (distance) C4'-P energy: -66.547
bonds (distance) P-C4' energy: -81.484
flat angles C4'-P-C4' energy: -87.622
flat angles P-C4'-P energy: -56.717
tors. eta vs tors. theta energy: -114.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 519
Temperature: 1.100000
Total energy: -1185.376652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.376652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.376652 (E_RNA)
where:
Base-Base interactions energy: -812.407
where: short stacking energy: -317.279
Base-Backbone interact. energy: -1.909
local terms energy: -371.060342
where:
bonds (distance) C4'-P energy: -77.569
bonds (distance) P-C4' energy: -84.101
flat angles C4'-P-C4' energy: -72.652
flat angles P-C4'-P energy: -48.242
tors. eta vs tors. theta energy: -88.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 519
Temperature: 1.150000
Total energy: -1087.636965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.636965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.636965 (E_RNA)
where:
Base-Base interactions energy: -743.040
where: short stacking energy: -304.233
Base-Backbone interact. energy: 0.414
local terms energy: -345.011260
where:
bonds (distance) C4'-P energy: -61.994
bonds (distance) P-C4' energy: -68.769
flat angles C4'-P-C4' energy: -79.344
flat angles P-C4'-P energy: -57.865
tors. eta vs tors. theta energy: -77.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 519
Temperature: 1.200000
Total energy: -949.153381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.153381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.153381 (E_RNA)
where:
Base-Base interactions energy: -616.532
where: short stacking energy: -282.674
Base-Backbone interact. energy: -1.955
local terms energy: -330.666756
where:
bonds (distance) C4'-P energy: -42.144
bonds (distance) P-C4' energy: -80.920
flat angles C4'-P-C4' energy: -66.314
flat angles P-C4'-P energy: -58.714
tors. eta vs tors. theta energy: -82.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 519
Temperature: 1.250000
Total energy: -601.330574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.330574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.330574 (E_RNA)
where:
Base-Base interactions energy: -373.845
where: short stacking energy: -180.072
Base-Backbone interact. energy: -0.524
local terms energy: -226.961593
where:
bonds (distance) C4'-P energy: -45.965
bonds (distance) P-C4' energy: -65.813
flat angles C4'-P-C4' energy: -72.017
flat angles P-C4'-P energy: -25.428
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 519
Temperature: 1.300000
Total energy: -354.368783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.368783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.368783 (E_RNA)
where:
Base-Base interactions energy: -122.998
where: short stacking energy: -89.595
Base-Backbone interact. energy: -0.414
local terms energy: -230.957010
where:
bonds (distance) C4'-P energy: -68.744
bonds (distance) P-C4' energy: -86.621
flat angles C4'-P-C4' energy: -63.637
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: 8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 519
Temperature: 1.350000
Total energy: -335.725593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.725593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.725593 (E_RNA)
where:
Base-Base interactions energy: -97.992
where: short stacking energy: -83.325
Base-Backbone interact. energy: -0.374
local terms energy: -237.360069
where:
bonds (distance) C4'-P energy: -65.295
bonds (distance) P-C4' energy: -82.982
flat angles C4'-P-C4' energy: -69.195
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 520
Temperature: 0.900000
Total energy: -1410.525482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.525482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.525482 (E_RNA)
where:
Base-Base interactions energy: -962.771
where: short stacking energy: -408.824
Base-Backbone interact. energy: -4.051
local terms energy: -443.704104
where:
bonds (distance) C4'-P energy: -78.206
bonds (distance) P-C4' energy: -80.119
flat angles C4'-P-C4' energy: -94.366
flat angles P-C4'-P energy: -55.215
tors. eta vs tors. theta energy: -135.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 520
Temperature: 0.950000
Total energy: -1337.952981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.952981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.952981 (E_RNA)
where:
Base-Base interactions energy: -918.483
where: short stacking energy: -368.423
Base-Backbone interact. energy: -2.690
local terms energy: -416.779338
where:
bonds (distance) C4'-P energy: -72.788
bonds (distance) P-C4' energy: -75.029
flat angles C4'-P-C4' energy: -91.722
flat angles P-C4'-P energy: -54.582
tors. eta vs tors. theta energy: -122.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 520
Temperature: 1.000000
Total energy: -1373.979058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.979058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.979058 (E_RNA)
where:
Base-Base interactions energy: -942.422
where: short stacking energy: -385.349
Base-Backbone interact. energy: 0.208
local terms energy: -431.765820
where:
bonds (distance) C4'-P energy: -74.647
bonds (distance) P-C4' energy: -80.644
flat angles C4'-P-C4' energy: -87.780
flat angles P-C4'-P energy: -58.582
tors. eta vs tors. theta energy: -130.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 520
Temperature: 1.050000
Total energy: -1240.712920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.712920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.712920 (E_RNA)
where:
Base-Base interactions energy: -840.378
where: short stacking energy: -349.669
Base-Backbone interact. energy: -2.965
local terms energy: -397.369717
where:
bonds (distance) C4'-P energy: -70.394
bonds (distance) P-C4' energy: -78.849
flat angles C4'-P-C4' energy: -83.947
flat angles P-C4'-P energy: -56.212
tors. eta vs tors. theta energy: -107.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 520
Temperature: 1.100000
Total energy: -1162.914756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.914756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.914756 (E_RNA)
where:
Base-Base interactions energy: -808.349
where: short stacking energy: -314.754
Base-Backbone interact. energy: -1.997
local terms energy: -352.568763
where:
bonds (distance) C4'-P energy: -60.917
bonds (distance) P-C4' energy: -75.125
flat angles C4'-P-C4' energy: -73.260
flat angles P-C4'-P energy: -53.773
tors. eta vs tors. theta energy: -89.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 520
Temperature: 1.150000
Total energy: -1097.056560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.056560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.056560 (E_RNA)
where:
Base-Base interactions energy: -747.551
where: short stacking energy: -312.106
Base-Backbone interact. energy: 2.043
local terms energy: -351.549436
where:
bonds (distance) C4'-P energy: -72.024
bonds (distance) P-C4' energy: -69.537
flat angles C4'-P-C4' energy: -75.691
flat angles P-C4'-P energy: -45.631
tors. eta vs tors. theta energy: -88.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 520
Temperature: 1.200000
Total energy: -921.220268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.220268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.220268 (E_RNA)
where:
Base-Base interactions energy: -607.166
where: short stacking energy: -257.903
Base-Backbone interact. energy: -1.342
local terms energy: -312.712845
where:
bonds (distance) C4'-P energy: -74.115
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -65.649
flat angles P-C4'-P energy: -40.554
tors. eta vs tors. theta energy: -72.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 520
Temperature: 1.250000
Total energy: -596.738570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.738570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.738570 (E_RNA)
where:
Base-Base interactions energy: -326.542
where: short stacking energy: -143.825
Base-Backbone interact. energy: 0.477
local terms energy: -270.672904
where:
bonds (distance) C4'-P energy: -68.874
bonds (distance) P-C4' energy: -71.871
flat angles C4'-P-C4' energy: -68.064
flat angles P-C4'-P energy: -50.473
tors. eta vs tors. theta energy: -11.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 520
Temperature: 1.300000
Total energy: -358.376521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.376521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.376521 (E_RNA)
where:
Base-Base interactions energy: -148.593
where: short stacking energy: -110.036
Base-Backbone interact. energy: 2.371
local terms energy: -212.154580
where:
bonds (distance) C4'-P energy: -70.134
bonds (distance) P-C4' energy: -70.962
flat angles C4'-P-C4' energy: -50.479
flat angles P-C4'-P energy: -27.910
tors. eta vs tors. theta energy: 7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 520
Temperature: 1.350000
Total energy: -339.016584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.016584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.016584 (E_RNA)
where:
Base-Base interactions energy: -122.375
where: short stacking energy: -74.996
Base-Backbone interact. energy: 1.237
local terms energy: -217.878276
where:
bonds (distance) C4'-P energy: -64.822
bonds (distance) P-C4' energy: -60.260
flat angles C4'-P-C4' energy: -63.089
flat angles P-C4'-P energy: -50.973
tors. eta vs tors. theta energy: 21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 521
Temperature: 0.900000
Total energy: -1422.728592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.728592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.728592 (E_RNA)
where:
Base-Base interactions energy: -974.627
where: short stacking energy: -389.068
Base-Backbone interact. energy: 0.319
local terms energy: -448.420207
where:
bonds (distance) C4'-P energy: -81.881
bonds (distance) P-C4' energy: -84.214
flat angles C4'-P-C4' energy: -91.553
flat angles P-C4'-P energy: -59.107
tors. eta vs tors. theta energy: -131.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 521
Temperature: 0.950000
Total energy: -1375.674964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.674964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.674964 (E_RNA)
where:
Base-Base interactions energy: -941.268
where: short stacking energy: -393.847
Base-Backbone interact. energy: -2.212
local terms energy: -432.194814
where:
bonds (distance) C4'-P energy: -73.200
bonds (distance) P-C4' energy: -82.593
flat angles C4'-P-C4' energy: -91.935
flat angles P-C4'-P energy: -61.580
tors. eta vs tors. theta energy: -122.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 521
Temperature: 1.000000
Total energy: -1309.499245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.499245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.499245 (E_RNA)
where:
Base-Base interactions energy: -905.074
where: short stacking energy: -383.465
Base-Backbone interact. energy: 0.311
local terms energy: -404.736683
where:
bonds (distance) C4'-P energy: -76.469
bonds (distance) P-C4' energy: -67.546
flat angles C4'-P-C4' energy: -90.634
flat angles P-C4'-P energy: -53.262
tors. eta vs tors. theta energy: -116.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 521
Temperature: 1.050000
Total energy: -1234.423076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.423076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.423076 (E_RNA)
where:
Base-Base interactions energy: -837.753
where: short stacking energy: -356.275
Base-Backbone interact. energy: 0.961
local terms energy: -397.631010
where:
bonds (distance) C4'-P energy: -70.879
bonds (distance) P-C4' energy: -74.633
flat angles C4'-P-C4' energy: -86.841
flat angles P-C4'-P energy: -53.957
tors. eta vs tors. theta energy: -111.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 521
Temperature: 1.100000
Total energy: -1172.758637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.758637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.758637 (E_RNA)
where:
Base-Base interactions energy: -800.658
where: short stacking energy: -321.742
Base-Backbone interact. energy: -2.540
local terms energy: -369.559999
where:
bonds (distance) C4'-P energy: -69.612
bonds (distance) P-C4' energy: -70.629
flat angles C4'-P-C4' energy: -88.208
flat angles P-C4'-P energy: -53.686
tors. eta vs tors. theta energy: -87.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 521
Temperature: 1.150000
Total energy: -1109.713002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.713002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.713002 (E_RNA)
where:
Base-Base interactions energy: -748.519
where: short stacking energy: -327.430
Base-Backbone interact. energy: -3.209
local terms energy: -357.985326
where:
bonds (distance) C4'-P energy: -62.486
bonds (distance) P-C4' energy: -75.857
flat angles C4'-P-C4' energy: -90.975
flat angles P-C4'-P energy: -34.850
tors. eta vs tors. theta energy: -93.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 521
Temperature: 1.200000
Total energy: -940.418553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.418553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.418553 (E_RNA)
where:
Base-Base interactions energy: -626.115
where: short stacking energy: -248.257
Base-Backbone interact. energy: -0.080
local terms energy: -314.224223
where:
bonds (distance) C4'-P energy: -53.097
bonds (distance) P-C4' energy: -70.457
flat angles C4'-P-C4' energy: -73.714
flat angles P-C4'-P energy: -47.454
tors. eta vs tors. theta energy: -69.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 521
Temperature: 1.250000
Total energy: -685.832409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.832409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.832409 (E_RNA)
where:
Base-Base interactions energy: -420.798
where: short stacking energy: -171.779
Base-Backbone interact. energy: 0.273
local terms energy: -265.306773
where:
bonds (distance) C4'-P energy: -59.095
bonds (distance) P-C4' energy: -83.377
flat angles C4'-P-C4' energy: -56.087
flat angles P-C4'-P energy: -35.989
tors. eta vs tors. theta energy: -30.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 521
Temperature: 1.300000
Total energy: -351.215582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.215582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.215582 (E_RNA)
where:
Base-Base interactions energy: -133.356
where: short stacking energy: -94.446
Base-Backbone interact. energy: -0.614
local terms energy: -217.245515
where:
bonds (distance) C4'-P energy: -63.347
bonds (distance) P-C4' energy: -79.277
flat angles C4'-P-C4' energy: -62.004
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: 3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 521
Temperature: 1.350000
Total energy: -353.797438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.797438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.797438 (E_RNA)
where:
Base-Base interactions energy: -132.132
where: short stacking energy: -78.768
Base-Backbone interact. energy: -0.589
local terms energy: -221.076432
where:
bonds (distance) C4'-P energy: -69.603
bonds (distance) P-C4' energy: -64.924
flat angles C4'-P-C4' energy: -64.162
flat angles P-C4'-P energy: -40.588
tors. eta vs tors. theta energy: 18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 522
Temperature: 0.900000
Total energy: -1412.822613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.822613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.822613 (E_RNA)
where:
Base-Base interactions energy: -953.501
where: short stacking energy: -388.304
Base-Backbone interact. energy: -2.714
local terms energy: -456.607303
where:
bonds (distance) C4'-P energy: -77.054
bonds (distance) P-C4' energy: -89.169
flat angles C4'-P-C4' energy: -94.900
flat angles P-C4'-P energy: -67.536
tors. eta vs tors. theta energy: -127.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 522
Temperature: 0.950000
Total energy: -1371.722175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.722175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.722175 (E_RNA)
where:
Base-Base interactions energy: -944.311
where: short stacking energy: -395.691
Base-Backbone interact. energy: -2.740
local terms energy: -424.670917
where:
bonds (distance) C4'-P energy: -68.411
bonds (distance) P-C4' energy: -77.877
flat angles C4'-P-C4' energy: -92.052
flat angles P-C4'-P energy: -62.246
tors. eta vs tors. theta energy: -124.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 522
Temperature: 1.000000
Total energy: -1285.299559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.299559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.299559 (E_RNA)
where:
Base-Base interactions energy: -875.176
where: short stacking energy: -349.056
Base-Backbone interact. energy: 1.328
local terms energy: -411.451557
where:
bonds (distance) C4'-P energy: -75.282
bonds (distance) P-C4' energy: -76.501
flat angles C4'-P-C4' energy: -88.624
flat angles P-C4'-P energy: -54.363
tors. eta vs tors. theta energy: -116.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 522
Temperature: 1.050000
Total energy: -1263.712009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.712009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.712009 (E_RNA)
where:
Base-Base interactions energy: -854.585
where: short stacking energy: -374.555
Base-Backbone interact. energy: 0.635
local terms energy: -409.761500
where:
bonds (distance) C4'-P energy: -73.955
bonds (distance) P-C4' energy: -78.381
flat angles C4'-P-C4' energy: -89.732
flat angles P-C4'-P energy: -56.516
tors. eta vs tors. theta energy: -111.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 522
Temperature: 1.100000
Total energy: -1162.711753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.711753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.711753 (E_RNA)
where:
Base-Base interactions energy: -803.207
where: short stacking energy: -311.451
Base-Backbone interact. energy: 3.324
local terms energy: -362.828474
where:
bonds (distance) C4'-P energy: -72.678
bonds (distance) P-C4' energy: -68.123
flat angles C4'-P-C4' energy: -79.464
flat angles P-C4'-P energy: -61.656
tors. eta vs tors. theta energy: -80.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 522
Temperature: 1.150000
Total energy: -1136.674619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.674619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.674619 (E_RNA)
where:
Base-Base interactions energy: -776.495
where: short stacking energy: -315.580
Base-Backbone interact. energy: -0.326
local terms energy: -359.853127
where:
bonds (distance) C4'-P energy: -72.033
bonds (distance) P-C4' energy: -77.817
flat angles C4'-P-C4' energy: -70.747
flat angles P-C4'-P energy: -50.884
tors. eta vs tors. theta energy: -88.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 522
Temperature: 1.200000
Total energy: -954.531979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.531979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.531979 (E_RNA)
where:
Base-Base interactions energy: -632.346
where: short stacking energy: -287.553
Base-Backbone interact. energy: 1.074
local terms energy: -323.260351
where:
bonds (distance) C4'-P energy: -67.211
bonds (distance) P-C4' energy: -66.718
flat angles C4'-P-C4' energy: -66.584
flat angles P-C4'-P energy: -41.837
tors. eta vs tors. theta energy: -80.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 522
Temperature: 1.250000
Total energy: -590.932109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.932109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.932109 (E_RNA)
where:
Base-Base interactions energy: -329.230
where: short stacking energy: -152.136
Base-Backbone interact. energy: -1.687
local terms energy: -260.014503
where:
bonds (distance) C4'-P energy: -62.834
bonds (distance) P-C4' energy: -74.838
flat angles C4'-P-C4' energy: -67.904
flat angles P-C4'-P energy: -38.515
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 522
Temperature: 1.300000
Total energy: -334.527459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.527459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.527459 (E_RNA)
where:
Base-Base interactions energy: -120.907
where: short stacking energy: -89.761
Base-Backbone interact. energy: -0.024
local terms energy: -213.596451
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -72.288
flat angles C4'-P-C4' energy: -46.745
flat angles P-C4'-P energy: -39.268
tors. eta vs tors. theta energy: 13.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 522
Temperature: 1.350000
Total energy: -316.818304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.818304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.818304 (E_RNA)
where:
Base-Base interactions energy: -90.887
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.434
local terms energy: -225.497150
where:
bonds (distance) C4'-P energy: -75.983
bonds (distance) P-C4' energy: -66.639
flat angles C4'-P-C4' energy: -64.393
flat angles P-C4'-P energy: -28.710
tors. eta vs tors. theta energy: 10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 523
Temperature: 0.900000
Total energy: -1416.013416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.013416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.013416 (E_RNA)
where:
Base-Base interactions energy: -978.666
where: short stacking energy: -409.562
Base-Backbone interact. energy: -1.124
local terms energy: -436.223961
where:
bonds (distance) C4'-P energy: -78.450
bonds (distance) P-C4' energy: -79.936
flat angles C4'-P-C4' energy: -94.934
flat angles P-C4'-P energy: -52.071
tors. eta vs tors. theta energy: -130.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 523
Temperature: 0.950000
Total energy: -1382.982466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.982466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.982466 (E_RNA)
where:
Base-Base interactions energy: -950.441
where: short stacking energy: -400.734
Base-Backbone interact. energy: -1.146
local terms energy: -431.395848
where:
bonds (distance) C4'-P energy: -66.795
bonds (distance) P-C4' energy: -78.592
flat angles C4'-P-C4' energy: -95.231
flat angles P-C4'-P energy: -64.127
tors. eta vs tors. theta energy: -126.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 523
Temperature: 1.000000
Total energy: -1318.712494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.712494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.712494 (E_RNA)
where:
Base-Base interactions energy: -905.154
where: short stacking energy: -367.459
Base-Backbone interact. energy: 1.366
local terms energy: -414.924475
where:
bonds (distance) C4'-P energy: -69.085
bonds (distance) P-C4' energy: -78.431
flat angles C4'-P-C4' energy: -88.217
flat angles P-C4'-P energy: -55.778
tors. eta vs tors. theta energy: -123.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 523
Temperature: 1.050000
Total energy: -1249.827345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.827345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.827345 (E_RNA)
where:
Base-Base interactions energy: -861.200
where: short stacking energy: -367.567
Base-Backbone interact. energy: -0.196
local terms energy: -388.431249
where:
bonds (distance) C4'-P energy: -58.321
bonds (distance) P-C4' energy: -67.280
flat angles C4'-P-C4' energy: -90.120
flat angles P-C4'-P energy: -56.010
tors. eta vs tors. theta energy: -116.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 523
Temperature: 1.100000
Total energy: -1155.064922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.064922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.064922 (E_RNA)
where:
Base-Base interactions energy: -808.618
where: short stacking energy: -316.307
Base-Backbone interact. energy: -1.791
local terms energy: -344.656204
where:
bonds (distance) C4'-P energy: -72.973
bonds (distance) P-C4' energy: -69.535
flat angles C4'-P-C4' energy: -77.025
flat angles P-C4'-P energy: -38.019
tors. eta vs tors. theta energy: -87.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 523
Temperature: 1.150000
Total energy: -1134.773470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.773470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.773470 (E_RNA)
where:
Base-Base interactions energy: -773.066
where: short stacking energy: -302.995
Base-Backbone interact. energy: -0.598
local terms energy: -361.109467
where:
bonds (distance) C4'-P energy: -58.691
bonds (distance) P-C4' energy: -78.347
flat angles C4'-P-C4' energy: -81.071
flat angles P-C4'-P energy: -59.440
tors. eta vs tors. theta energy: -83.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 523
Temperature: 1.200000
Total energy: -1009.206717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.206717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.206717 (E_RNA)
where:
Base-Base interactions energy: -689.384
where: short stacking energy: -301.461
Base-Backbone interact. energy: -1.243
local terms energy: -318.578980
where:
bonds (distance) C4'-P energy: -51.575
bonds (distance) P-C4' energy: -66.909
flat angles C4'-P-C4' energy: -72.601
flat angles P-C4'-P energy: -41.360
tors. eta vs tors. theta energy: -86.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 523
Temperature: 1.250000
Total energy: -570.151915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.151915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.151915 (E_RNA)
where:
Base-Base interactions energy: -308.414
where: short stacking energy: -169.533
Base-Backbone interact. energy: -1.784
local terms energy: -259.953649
where:
bonds (distance) C4'-P energy: -75.810
bonds (distance) P-C4' energy: -62.625
flat angles C4'-P-C4' energy: -64.965
flat angles P-C4'-P energy: -30.482
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 523
Temperature: 1.300000
Total energy: -343.144748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.144748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.144748 (E_RNA)
where:
Base-Base interactions energy: -150.443
where: short stacking energy: -99.094
Base-Backbone interact. energy: -0.642
local terms energy: -192.059002
where:
bonds (distance) C4'-P energy: -69.783
bonds (distance) P-C4' energy: -52.379
flat angles C4'-P-C4' energy: -49.980
flat angles P-C4'-P energy: -28.547
tors. eta vs tors. theta energy: 8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 523
Temperature: 1.350000
Total energy: -310.551851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.551851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.551851 (E_RNA)
where:
Base-Base interactions energy: -103.780
where: short stacking energy: -77.570
Base-Backbone interact. energy: -1.010
local terms energy: -205.761280
where:
bonds (distance) C4'-P energy: -59.814
bonds (distance) P-C4' energy: -71.853
flat angles C4'-P-C4' energy: -43.433
flat angles P-C4'-P energy: -39.073
tors. eta vs tors. theta energy: 8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 524
Temperature: 0.900000
Total energy: -1419.163220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.163220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.163220 (E_RNA)
where:
Base-Base interactions energy: -972.786
where: short stacking energy: -394.041
Base-Backbone interact. energy: -0.118
local terms energy: -446.259122
where:
bonds (distance) C4'-P energy: -80.367
bonds (distance) P-C4' energy: -79.346
flat angles C4'-P-C4' energy: -93.074
flat angles P-C4'-P energy: -62.133
tors. eta vs tors. theta energy: -131.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 524
Temperature: 0.950000
Total energy: -1404.064618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.064618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.064618 (E_RNA)
where:
Base-Base interactions energy: -974.768
where: short stacking energy: -414.878
Base-Backbone interact. energy: -1.653
local terms energy: -427.643663
where:
bonds (distance) C4'-P energy: -68.457
bonds (distance) P-C4' energy: -79.945
flat angles C4'-P-C4' energy: -97.895
flat angles P-C4'-P energy: -54.768
tors. eta vs tors. theta energy: -126.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 524
Temperature: 1.000000
Total energy: -1310.729341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.729341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.729341 (E_RNA)
where:
Base-Base interactions energy: -914.077
where: short stacking energy: -384.376
Base-Backbone interact. energy: 0.178
local terms energy: -396.830113
where:
bonds (distance) C4'-P energy: -76.534
bonds (distance) P-C4' energy: -72.808
flat angles C4'-P-C4' energy: -85.990
flat angles P-C4'-P energy: -44.162
tors. eta vs tors. theta energy: -117.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 524
Temperature: 1.050000
Total energy: -1243.032235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.032235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.032235 (E_RNA)
where:
Base-Base interactions energy: -870.639
where: short stacking energy: -370.257
Base-Backbone interact. energy: -2.552
local terms energy: -369.841151
where:
bonds (distance) C4'-P energy: -60.273
bonds (distance) P-C4' energy: -73.470
flat angles C4'-P-C4' energy: -78.636
flat angles P-C4'-P energy: -47.443
tors. eta vs tors. theta energy: -110.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 524
Temperature: 1.100000
Total energy: -1140.543011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.543011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.543011 (E_RNA)
where:
Base-Base interactions energy: -778.602
where: short stacking energy: -310.424
Base-Backbone interact. energy: 1.969
local terms energy: -363.909632
where:
bonds (distance) C4'-P energy: -74.810
bonds (distance) P-C4' energy: -77.816
flat angles C4'-P-C4' energy: -83.875
flat angles P-C4'-P energy: -42.354
tors. eta vs tors. theta energy: -85.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 524
Temperature: 1.150000
Total energy: -1088.426061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.426061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.426061 (E_RNA)
where:
Base-Base interactions energy: -734.185
where: short stacking energy: -318.399
Base-Backbone interact. energy: -0.859
local terms energy: -353.382129
where:
bonds (distance) C4'-P energy: -66.690
bonds (distance) P-C4' energy: -77.678
flat angles C4'-P-C4' energy: -69.575
flat angles P-C4'-P energy: -43.810
tors. eta vs tors. theta energy: -95.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 524
Temperature: 1.200000
Total energy: -978.307872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.307872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.307872 (E_RNA)
where:
Base-Base interactions energy: -629.942
where: short stacking energy: -279.697
Base-Backbone interact. energy: -1.984
local terms energy: -346.382020
where:
bonds (distance) C4'-P energy: -71.170
bonds (distance) P-C4' energy: -69.429
flat angles C4'-P-C4' energy: -80.843
flat angles P-C4'-P energy: -55.380
tors. eta vs tors. theta energy: -69.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 524
Temperature: 1.250000
Total energy: -561.221083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.221083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.221083 (E_RNA)
where:
Base-Base interactions energy: -300.665
where: short stacking energy: -140.402
Base-Backbone interact. energy: -1.186
local terms energy: -259.369864
where:
bonds (distance) C4'-P energy: -60.906
bonds (distance) P-C4' energy: -66.433
flat angles C4'-P-C4' energy: -69.836
flat angles P-C4'-P energy: -42.919
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 524
Temperature: 1.300000
Total energy: -335.415014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.415014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.415014 (E_RNA)
where:
Base-Base interactions energy: -117.678
where: short stacking energy: -104.194
Base-Backbone interact. energy: -0.529
local terms energy: -217.208054
where:
bonds (distance) C4'-P energy: -69.088
bonds (distance) P-C4' energy: -70.624
flat angles C4'-P-C4' energy: -51.893
flat angles P-C4'-P energy: -33.188
tors. eta vs tors. theta energy: 7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 524
Temperature: 1.350000
Total energy: -310.895671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.895671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.895671 (E_RNA)
where:
Base-Base interactions energy: -111.391
where: short stacking energy: -81.920
Base-Backbone interact. energy: -2.113
local terms energy: -197.390912
where:
bonds (distance) C4'-P energy: -71.338
bonds (distance) P-C4' energy: -65.959
flat angles C4'-P-C4' energy: -38.057
flat angles P-C4'-P energy: -30.931
tors. eta vs tors. theta energy: 8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 525
Temperature: 0.900000
Total energy: -1408.880474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.880474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.880474 (E_RNA)
where:
Base-Base interactions energy: -972.002
where: short stacking energy: -402.698
Base-Backbone interact. energy: -0.895
local terms energy: -435.983417
where:
bonds (distance) C4'-P energy: -74.907
bonds (distance) P-C4' energy: -79.619
flat angles C4'-P-C4' energy: -89.742
flat angles P-C4'-P energy: -59.544
tors. eta vs tors. theta energy: -132.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 525
Temperature: 0.950000
Total energy: -1400.713401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.713401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.713401 (E_RNA)
where:
Base-Base interactions energy: -969.720
where: short stacking energy: -399.223
Base-Backbone interact. energy: -1.888
local terms energy: -429.105375
where:
bonds (distance) C4'-P energy: -65.463
bonds (distance) P-C4' energy: -77.678
flat angles C4'-P-C4' energy: -91.791
flat angles P-C4'-P energy: -65.056
tors. eta vs tors. theta energy: -129.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 525
Temperature: 1.000000
Total energy: -1310.476544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.476544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.476544 (E_RNA)
where:
Base-Base interactions energy: -900.830
where: short stacking energy: -378.739
Base-Backbone interact. energy: 2.870
local terms energy: -412.516670
where:
bonds (distance) C4'-P energy: -77.585
bonds (distance) P-C4' energy: -74.182
flat angles C4'-P-C4' energy: -83.918
flat angles P-C4'-P energy: -53.355
tors. eta vs tors. theta energy: -123.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 525
Temperature: 1.050000
Total energy: -1271.391202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.391202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.391202 (E_RNA)
where:
Base-Base interactions energy: -869.307
where: short stacking energy: -373.584
Base-Backbone interact. energy: 0.398
local terms energy: -402.482003
where:
bonds (distance) C4'-P energy: -68.892
bonds (distance) P-C4' energy: -83.139
flat angles C4'-P-C4' energy: -88.772
flat angles P-C4'-P energy: -51.098
tors. eta vs tors. theta energy: -110.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 525
Temperature: 1.100000
Total energy: -1156.957725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.957725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.957725 (E_RNA)
where:
Base-Base interactions energy: -821.474
where: short stacking energy: -308.359
Base-Backbone interact. energy: -1.979
local terms energy: -333.504338
where:
bonds (distance) C4'-P energy: -74.264
bonds (distance) P-C4' energy: -65.677
flat angles C4'-P-C4' energy: -71.405
flat angles P-C4'-P energy: -45.809
tors. eta vs tors. theta energy: -76.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 525
Temperature: 1.150000
Total energy: -1020.468722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.468722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.468722 (E_RNA)
where:
Base-Base interactions energy: -642.729
where: short stacking energy: -286.927
Base-Backbone interact. energy: 0.502
local terms energy: -378.241344
where:
bonds (distance) C4'-P energy: -74.259
bonds (distance) P-C4' energy: -74.496
flat angles C4'-P-C4' energy: -89.523
flat angles P-C4'-P energy: -41.870
tors. eta vs tors. theta energy: -98.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 525
Temperature: 1.200000
Total energy: -1086.973155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.973155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.973155 (E_RNA)
where:
Base-Base interactions energy: -733.119
where: short stacking energy: -304.337
Base-Backbone interact. energy: 0.787
local terms energy: -354.640490
where:
bonds (distance) C4'-P energy: -55.436
bonds (distance) P-C4' energy: -72.730
flat angles C4'-P-C4' energy: -84.571
flat angles P-C4'-P energy: -54.606
tors. eta vs tors. theta energy: -87.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 525
Temperature: 1.250000
Total energy: -553.654821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.654821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.654821 (E_RNA)
where:
Base-Base interactions energy: -308.047
where: short stacking energy: -157.294
Base-Backbone interact. energy: 1.306
local terms energy: -246.913996
where:
bonds (distance) C4'-P energy: -66.979
bonds (distance) P-C4' energy: -77.272
flat angles C4'-P-C4' energy: -63.614
flat angles P-C4'-P energy: -32.345
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 525
Temperature: 1.300000
Total energy: -342.892028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.892028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.892028 (E_RNA)
where:
Base-Base interactions energy: -127.500
where: short stacking energy: -106.399
Base-Backbone interact. energy: -0.032
local terms energy: -215.359938
where:
bonds (distance) C4'-P energy: -71.691
bonds (distance) P-C4' energy: -57.934
flat angles C4'-P-C4' energy: -59.143
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: 5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 525
Temperature: 1.350000
Total energy: -320.590472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.590472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.590472 (E_RNA)
where:
Base-Base interactions energy: -122.588
where: short stacking energy: -95.333
Base-Backbone interact. energy: -0.066
local terms energy: -197.936171
where:
bonds (distance) C4'-P energy: -67.142
bonds (distance) P-C4' energy: -63.941
flat angles C4'-P-C4' energy: -49.343
flat angles P-C4'-P energy: -35.221
tors. eta vs tors. theta energy: 17.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 526
Temperature: 0.900000
Total energy: -1418.174468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.174468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.174468 (E_RNA)
where:
Base-Base interactions energy: -978.122
where: short stacking energy: -397.752
Base-Backbone interact. energy: -0.957
local terms energy: -439.095833
where:
bonds (distance) C4'-P energy: -82.867
bonds (distance) P-C4' energy: -73.019
flat angles C4'-P-C4' energy: -98.444
flat angles P-C4'-P energy: -60.860
tors. eta vs tors. theta energy: -123.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 526
Temperature: 0.950000
Total energy: -1340.879613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.879613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.879613 (E_RNA)
where:
Base-Base interactions energy: -917.611
where: short stacking energy: -364.204
Base-Backbone interact. energy: -1.947
local terms energy: -421.321185
where:
bonds (distance) C4'-P energy: -77.277
bonds (distance) P-C4' energy: -78.767
flat angles C4'-P-C4' energy: -91.013
flat angles P-C4'-P energy: -55.832
tors. eta vs tors. theta energy: -118.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 526
Temperature: 1.000000
Total energy: -1319.995118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.995118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.995118 (E_RNA)
where:
Base-Base interactions energy: -897.451
where: short stacking energy: -362.038
Base-Backbone interact. energy: -0.535
local terms energy: -422.009000
where:
bonds (distance) C4'-P energy: -73.293
bonds (distance) P-C4' energy: -82.914
flat angles C4'-P-C4' energy: -91.050
flat angles P-C4'-P energy: -49.937
tors. eta vs tors. theta energy: -124.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 526
Temperature: 1.050000
Total energy: -1250.819636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.819636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.819636 (E_RNA)
where:
Base-Base interactions energy: -855.788
where: short stacking energy: -373.710
Base-Backbone interact. energy: -1.827
local terms energy: -393.204691
where:
bonds (distance) C4'-P energy: -74.703
bonds (distance) P-C4' energy: -73.597
flat angles C4'-P-C4' energy: -88.047
flat angles P-C4'-P energy: -44.866
tors. eta vs tors. theta energy: -111.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 526
Temperature: 1.100000
Total energy: -1156.859172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.859172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.859172 (E_RNA)
where:
Base-Base interactions energy: -812.652
where: short stacking energy: -313.090
Base-Backbone interact. energy: -3.668
local terms energy: -340.538710
where:
bonds (distance) C4'-P energy: -61.232
bonds (distance) P-C4' energy: -68.401
flat angles C4'-P-C4' energy: -76.164
flat angles P-C4'-P energy: -47.724
tors. eta vs tors. theta energy: -87.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 526
Temperature: 1.150000
Total energy: -1014.957329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.957329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.957329 (E_RNA)
where:
Base-Base interactions energy: -669.357
where: short stacking energy: -274.552
Base-Backbone interact. energy: -0.437
local terms energy: -345.162759
where:
bonds (distance) C4'-P energy: -58.107
bonds (distance) P-C4' energy: -77.166
flat angles C4'-P-C4' energy: -85.407
flat angles P-C4'-P energy: -51.513
tors. eta vs tors. theta energy: -72.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 526
Temperature: 1.200000
Total energy: -1071.531106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.531106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.531106 (E_RNA)
where:
Base-Base interactions energy: -734.103
where: short stacking energy: -291.183
Base-Backbone interact. energy: -0.897
local terms energy: -336.530916
where:
bonds (distance) C4'-P energy: -74.597
bonds (distance) P-C4' energy: -69.251
flat angles C4'-P-C4' energy: -67.921
flat angles P-C4'-P energy: -41.522
tors. eta vs tors. theta energy: -83.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 526
Temperature: 1.250000
Total energy: -551.591641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.591641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.591641 (E_RNA)
where:
Base-Base interactions energy: -288.064
where: short stacking energy: -155.030
Base-Backbone interact. energy: -0.152
local terms energy: -263.375926
where:
bonds (distance) C4'-P energy: -72.945
bonds (distance) P-C4' energy: -64.815
flat angles C4'-P-C4' energy: -69.280
flat angles P-C4'-P energy: -35.528
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 526
Temperature: 1.300000
Total energy: -351.701739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.701739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.701739 (E_RNA)
where:
Base-Base interactions energy: -131.391
where: short stacking energy: -75.438
Base-Backbone interact. energy: 4.000
local terms energy: -224.310530
where:
bonds (distance) C4'-P energy: -57.331
bonds (distance) P-C4' energy: -67.469
flat angles C4'-P-C4' energy: -74.121
flat angles P-C4'-P energy: -31.049
tors. eta vs tors. theta energy: 5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 526
Temperature: 1.350000
Total energy: -338.267932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.267932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.267932 (E_RNA)
where:
Base-Base interactions energy: -120.178
where: short stacking energy: -109.664
Base-Backbone interact. energy: 2.159
local terms energy: -220.248310
where:
bonds (distance) C4'-P energy: -69.981
bonds (distance) P-C4' energy: -63.149
flat angles C4'-P-C4' energy: -66.250
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: 12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 527
Temperature: 0.900000
Total energy: -1423.471786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.471786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.471786 (E_RNA)
where:
Base-Base interactions energy: -976.847
where: short stacking energy: -411.581
Base-Backbone interact. energy: -0.369
local terms energy: -446.256519
where:
bonds (distance) C4'-P energy: -79.945
bonds (distance) P-C4' energy: -82.995
flat angles C4'-P-C4' energy: -90.084
flat angles P-C4'-P energy: -65.292
tors. eta vs tors. theta energy: -127.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 527
Temperature: 0.950000
Total energy: -1346.439402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.439402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.439402 (E_RNA)
where:
Base-Base interactions energy: -927.831
where: short stacking energy: -395.476
Base-Backbone interact. energy: -0.899
local terms energy: -417.708496
where:
bonds (distance) C4'-P energy: -80.684
bonds (distance) P-C4' energy: -68.873
flat angles C4'-P-C4' energy: -92.217
flat angles P-C4'-P energy: -54.355
tors. eta vs tors. theta energy: -121.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 527
Temperature: 1.000000
Total energy: -1304.887850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.887850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.887850 (E_RNA)
where:
Base-Base interactions energy: -883.550
where: short stacking energy: -367.380
Base-Backbone interact. energy: -1.002
local terms energy: -420.335599
where:
bonds (distance) C4'-P energy: -69.271
bonds (distance) P-C4' energy: -81.028
flat angles C4'-P-C4' energy: -94.730
flat angles P-C4'-P energy: -56.749
tors. eta vs tors. theta energy: -118.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 527
Temperature: 1.050000
Total energy: -1272.486061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.486061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.486061 (E_RNA)
where:
Base-Base interactions energy: -886.074
where: short stacking energy: -372.814
Base-Backbone interact. energy: -1.337
local terms energy: -385.075256
where:
bonds (distance) C4'-P energy: -65.831
bonds (distance) P-C4' energy: -71.294
flat angles C4'-P-C4' energy: -82.018
flat angles P-C4'-P energy: -55.688
tors. eta vs tors. theta energy: -110.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 527
Temperature: 1.100000
Total energy: -1127.874030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.874030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.874030 (E_RNA)
where:
Base-Base interactions energy: -778.878
where: short stacking energy: -306.431
Base-Backbone interact. energy: -1.639
local terms energy: -347.357326
where:
bonds (distance) C4'-P energy: -69.031
bonds (distance) P-C4' energy: -72.847
flat angles C4'-P-C4' energy: -69.852
flat angles P-C4'-P energy: -48.767
tors. eta vs tors. theta energy: -86.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 527
Temperature: 1.150000
Total energy: -1114.291377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.291377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.291377 (E_RNA)
where:
Base-Base interactions energy: -750.387
where: short stacking energy: -320.084
Base-Backbone interact. energy: -1.532
local terms energy: -362.372237
where:
bonds (distance) C4'-P energy: -82.969
bonds (distance) P-C4' energy: -66.986
flat angles C4'-P-C4' energy: -68.395
flat angles P-C4'-P energy: -53.728
tors. eta vs tors. theta energy: -90.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 527
Temperature: 1.200000
Total energy: -970.451416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.451416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.451416 (E_RNA)
where:
Base-Base interactions energy: -619.851
where: short stacking energy: -260.209
Base-Backbone interact. energy: -0.428
local terms energy: -350.171904
where:
bonds (distance) C4'-P energy: -79.420
bonds (distance) P-C4' energy: -68.511
flat angles C4'-P-C4' energy: -74.590
flat angles P-C4'-P energy: -52.939
tors. eta vs tors. theta energy: -74.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 527
Temperature: 1.250000
Total energy: -571.656083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.656083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.656083 (E_RNA)
where:
Base-Base interactions energy: -291.237
where: short stacking energy: -158.209
Base-Backbone interact. energy: -0.977
local terms energy: -279.442829
where:
bonds (distance) C4'-P energy: -75.478
bonds (distance) P-C4' energy: -82.458
flat angles C4'-P-C4' energy: -69.047
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 527
Temperature: 1.300000
Total energy: -336.353362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.353362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.353362 (E_RNA)
where:
Base-Base interactions energy: -140.579
where: short stacking energy: -109.707
Base-Backbone interact. energy: -0.344
local terms energy: -195.430951
where:
bonds (distance) C4'-P energy: -53.957
bonds (distance) P-C4' energy: -71.526
flat angles C4'-P-C4' energy: -53.755
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: 3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 527
Temperature: 1.350000
Total energy: -308.171947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.171947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.171947 (E_RNA)
where:
Base-Base interactions energy: -117.605
where: short stacking energy: -92.817
Base-Backbone interact. energy: -0.436
local terms energy: -190.130930
where:
bonds (distance) C4'-P energy: -49.813
bonds (distance) P-C4' energy: -65.616
flat angles C4'-P-C4' energy: -47.287
flat angles P-C4'-P energy: -39.995
tors. eta vs tors. theta energy: 12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 528
Temperature: 0.900000
Total energy: -1367.825155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.825155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.825155 (E_RNA)
where:
Base-Base interactions energy: -944.745
where: short stacking energy: -389.601
Base-Backbone interact. energy: -2.520
local terms energy: -420.560740
where:
bonds (distance) C4'-P energy: -85.377
bonds (distance) P-C4' energy: -80.276
flat angles C4'-P-C4' energy: -89.348
flat angles P-C4'-P energy: -50.663
tors. eta vs tors. theta energy: -114.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 528
Temperature: 0.950000
Total energy: -1387.747458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.747458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.747458 (E_RNA)
where:
Base-Base interactions energy: -959.801
where: short stacking energy: -404.386
Base-Backbone interact. energy: -1.391
local terms energy: -426.555664
where:
bonds (distance) C4'-P energy: -70.650
bonds (distance) P-C4' energy: -74.970
flat angles C4'-P-C4' energy: -93.369
flat angles P-C4'-P energy: -62.748
tors. eta vs tors. theta energy: -124.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 528
Temperature: 1.000000
Total energy: -1311.459169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.459169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.459169 (E_RNA)
where:
Base-Base interactions energy: -903.946
where: short stacking energy: -374.611
Base-Backbone interact. energy: 1.685
local terms energy: -409.197503
where:
bonds (distance) C4'-P energy: -71.440
bonds (distance) P-C4' energy: -72.152
flat angles C4'-P-C4' energy: -90.326
flat angles P-C4'-P energy: -54.437
tors. eta vs tors. theta energy: -120.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 528
Temperature: 1.050000
Total energy: -1266.175363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.175363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.175363 (E_RNA)
where:
Base-Base interactions energy: -852.576
where: short stacking energy: -372.755
Base-Backbone interact. energy: -2.547
local terms energy: -411.052241
where:
bonds (distance) C4'-P energy: -70.554
bonds (distance) P-C4' energy: -81.584
flat angles C4'-P-C4' energy: -92.182
flat angles P-C4'-P energy: -54.894
tors. eta vs tors. theta energy: -111.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 528
Temperature: 1.100000
Total energy: -1156.120819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.120819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.120819 (E_RNA)
where:
Base-Base interactions energy: -793.423
where: short stacking energy: -318.825
Base-Backbone interact. energy: 3.337
local terms energy: -366.034883
where:
bonds (distance) C4'-P energy: -85.400
bonds (distance) P-C4' energy: -75.752
flat angles C4'-P-C4' energy: -73.704
flat angles P-C4'-P energy: -42.696
tors. eta vs tors. theta energy: -88.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 528
Temperature: 1.150000
Total energy: -1120.020631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.020631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.020631 (E_RNA)
where:
Base-Base interactions energy: -753.633
where: short stacking energy: -320.689
Base-Backbone interact. energy: -0.639
local terms energy: -365.748127
where:
bonds (distance) C4'-P energy: -64.491
bonds (distance) P-C4' energy: -79.492
flat angles C4'-P-C4' energy: -73.398
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -106.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 528
Temperature: 1.200000
Total energy: -1004.251178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.251178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.251178 (E_RNA)
where:
Base-Base interactions energy: -640.650
where: short stacking energy: -264.088
Base-Backbone interact. energy: -1.143
local terms energy: -362.458210
where:
bonds (distance) C4'-P energy: -73.561
bonds (distance) P-C4' energy: -73.884
flat angles C4'-P-C4' energy: -78.731
flat angles P-C4'-P energy: -50.747
tors. eta vs tors. theta energy: -85.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 528
Temperature: 1.250000
Total energy: -565.234824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.234824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.234824 (E_RNA)
where:
Base-Base interactions energy: -295.825
where: short stacking energy: -173.203
Base-Backbone interact. energy: -0.488
local terms energy: -268.922012
where:
bonds (distance) C4'-P energy: -70.777
bonds (distance) P-C4' energy: -66.016
flat angles C4'-P-C4' energy: -71.998
flat angles P-C4'-P energy: -41.483
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 528
Temperature: 1.300000
Total energy: -346.996808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.996808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.996808 (E_RNA)
where:
Base-Base interactions energy: -125.214
where: short stacking energy: -97.678
Base-Backbone interact. energy: 6.864
local terms energy: -228.646481
where:
bonds (distance) C4'-P energy: -63.399
bonds (distance) P-C4' energy: -74.112
flat angles C4'-P-C4' energy: -59.422
flat angles P-C4'-P energy: -38.053
tors. eta vs tors. theta energy: 6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 528
Temperature: 1.350000
Total energy: -317.504761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.504761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.504761 (E_RNA)
where:
Base-Base interactions energy: -86.897
where: short stacking energy: -78.477
Base-Backbone interact. energy: 1.808
local terms energy: -232.416270
where:
bonds (distance) C4'-P energy: -69.971
bonds (distance) P-C4' energy: -73.159
flat angles C4'-P-C4' energy: -61.527
flat angles P-C4'-P energy: -33.729
tors. eta vs tors. theta energy: 5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 529
Temperature: 0.900000
Total energy: -1387.380775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.380775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.380775 (E_RNA)
where:
Base-Base interactions energy: -963.666
where: short stacking energy: -386.339
Base-Backbone interact. energy: -0.896
local terms energy: -422.818658
where:
bonds (distance) C4'-P energy: -61.415
bonds (distance) P-C4' energy: -83.645
flat angles C4'-P-C4' energy: -95.493
flat angles P-C4'-P energy: -62.414
tors. eta vs tors. theta energy: -119.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 529
Temperature: 0.950000
Total energy: -1387.574771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.574771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.574771 (E_RNA)
where:
Base-Base interactions energy: -940.145
where: short stacking energy: -402.659
Base-Backbone interact. energy: -2.461
local terms energy: -444.968696
where:
bonds (distance) C4'-P energy: -75.144
bonds (distance) P-C4' energy: -88.419
flat angles C4'-P-C4' energy: -94.071
flat angles P-C4'-P energy: -65.792
tors. eta vs tors. theta energy: -121.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 529
Temperature: 1.000000
Total energy: -1286.174583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.174583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.174583 (E_RNA)
where:
Base-Base interactions energy: -882.217
where: short stacking energy: -380.118
Base-Backbone interact. energy: -2.464
local terms energy: -401.493556
where:
bonds (distance) C4'-P energy: -75.132
bonds (distance) P-C4' energy: -78.037
flat angles C4'-P-C4' energy: -87.910
flat angles P-C4'-P energy: -44.416
tors. eta vs tors. theta energy: -115.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 529
Temperature: 1.050000
Total energy: -1272.536006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.536006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.536006 (E_RNA)
where:
Base-Base interactions energy: -878.722
where: short stacking energy: -355.429
Base-Backbone interact. energy: -1.874
local terms energy: -391.940067
where:
bonds (distance) C4'-P energy: -55.701
bonds (distance) P-C4' energy: -85.906
flat angles C4'-P-C4' energy: -82.136
flat angles P-C4'-P energy: -60.051
tors. eta vs tors. theta energy: -108.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 529
Temperature: 1.100000
Total energy: -1164.816091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.816091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.816091 (E_RNA)
where:
Base-Base interactions energy: -812.724
where: short stacking energy: -322.779
Base-Backbone interact. energy: -0.668
local terms energy: -351.424192
where:
bonds (distance) C4'-P energy: -65.062
bonds (distance) P-C4' energy: -71.246
flat angles C4'-P-C4' energy: -72.521
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -98.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 529
Temperature: 1.150000
Total energy: -1129.147408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.147408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.147408 (E_RNA)
where:
Base-Base interactions energy: -759.829
where: short stacking energy: -325.372
Base-Backbone interact. energy: -1.717
local terms energy: -367.600759
where:
bonds (distance) C4'-P energy: -61.614
bonds (distance) P-C4' energy: -83.551
flat angles C4'-P-C4' energy: -78.230
flat angles P-C4'-P energy: -47.395
tors. eta vs tors. theta energy: -96.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 529
Temperature: 1.200000
Total energy: -988.892075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.892075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.892075 (E_RNA)
where:
Base-Base interactions energy: -641.997
where: short stacking energy: -295.585
Base-Backbone interact. energy: -1.915
local terms energy: -344.980659
where:
bonds (distance) C4'-P energy: -58.847
bonds (distance) P-C4' energy: -78.560
flat angles C4'-P-C4' energy: -89.552
flat angles P-C4'-P energy: -35.332
tors. eta vs tors. theta energy: -82.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 529
Temperature: 1.250000
Total energy: -552.025470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.025470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.025470 (E_RNA)
where:
Base-Base interactions energy: -277.601
where: short stacking energy: -144.902
Base-Backbone interact. energy: -0.639
local terms energy: -273.785662
where:
bonds (distance) C4'-P energy: -69.899
bonds (distance) P-C4' energy: -64.742
flat angles C4'-P-C4' energy: -70.159
flat angles P-C4'-P energy: -45.395
tors. eta vs tors. theta energy: -23.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 529
Temperature: 1.300000
Total energy: -341.062806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.062806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.062806 (E_RNA)
where:
Base-Base interactions energy: -119.292
where: short stacking energy: -93.178
Base-Backbone interact. energy: -3.594
local terms energy: -218.176966
where:
bonds (distance) C4'-P energy: -77.924
bonds (distance) P-C4' energy: -65.654
flat angles C4'-P-C4' energy: -55.601
flat angles P-C4'-P energy: -44.601
tors. eta vs tors. theta energy: 25.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 529
Temperature: 1.350000
Total energy: -322.223421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.223421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.223421 (E_RNA)
where:
Base-Base interactions energy: -122.807
where: short stacking energy: -107.402
Base-Backbone interact. energy: -2.024
local terms energy: -197.392355
where:
bonds (distance) C4'-P energy: -54.117
bonds (distance) P-C4' energy: -63.365
flat angles C4'-P-C4' energy: -47.048
flat angles P-C4'-P energy: -33.042
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 530
Temperature: 0.900000
Total energy: -1405.016449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.016449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.016449 (E_RNA)
where:
Base-Base interactions energy: -956.928
where: short stacking energy: -382.821
Base-Backbone interact. energy: -1.577
local terms energy: -446.511073
where:
bonds (distance) C4'-P energy: -78.014
bonds (distance) P-C4' energy: -90.814
flat angles C4'-P-C4' energy: -87.606
flat angles P-C4'-P energy: -67.251
tors. eta vs tors. theta energy: -122.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 530
Temperature: 0.950000
Total energy: -1384.430953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.430953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.430953 (E_RNA)
where:
Base-Base interactions energy: -953.051
where: short stacking energy: -398.696
Base-Backbone interact. energy: -1.888
local terms energy: -429.491296
where:
bonds (distance) C4'-P energy: -76.227
bonds (distance) P-C4' energy: -69.472
flat angles C4'-P-C4' energy: -89.723
flat angles P-C4'-P energy: -65.599
tors. eta vs tors. theta energy: -128.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 530
Temperature: 1.000000
Total energy: -1346.633108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.633108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.633108 (E_RNA)
where:
Base-Base interactions energy: -909.780
where: short stacking energy: -389.765
Base-Backbone interact. energy: -0.154
local terms energy: -436.699314
where:
bonds (distance) C4'-P energy: -88.817
bonds (distance) P-C4' energy: -77.132
flat angles C4'-P-C4' energy: -92.346
flat angles P-C4'-P energy: -57.383
tors. eta vs tors. theta energy: -121.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 530
Temperature: 1.050000
Total energy: -1209.969542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.969542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.969542 (E_RNA)
where:
Base-Base interactions energy: -819.454
where: short stacking energy: -351.476
Base-Backbone interact. energy: 3.043
local terms energy: -393.558774
where:
bonds (distance) C4'-P energy: -70.718
bonds (distance) P-C4' energy: -79.521
flat angles C4'-P-C4' energy: -88.200
flat angles P-C4'-P energy: -49.979
tors. eta vs tors. theta energy: -105.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 530
Temperature: 1.100000
Total energy: -1136.600035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.600035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.600035 (E_RNA)
where:
Base-Base interactions energy: -780.241
where: short stacking energy: -315.944
Base-Backbone interact. energy: 0.111
local terms energy: -356.470854
where:
bonds (distance) C4'-P energy: -69.653
bonds (distance) P-C4' energy: -79.665
flat angles C4'-P-C4' energy: -68.262
flat angles P-C4'-P energy: -50.062
tors. eta vs tors. theta energy: -88.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 530
Temperature: 1.150000
Total energy: -1064.934533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.934533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.934533 (E_RNA)
where:
Base-Base interactions energy: -701.580
where: short stacking energy: -296.140
Base-Backbone interact. energy: -1.512
local terms energy: -361.842274
where:
bonds (distance) C4'-P energy: -70.998
bonds (distance) P-C4' energy: -74.093
flat angles C4'-P-C4' energy: -75.319
flat angles P-C4'-P energy: -55.551
tors. eta vs tors. theta energy: -85.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 530
Temperature: 1.200000
Total energy: -1006.410045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.410045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.410045 (E_RNA)
where:
Base-Base interactions energy: -655.235
where: short stacking energy: -306.518
Base-Backbone interact. energy: -0.484
local terms energy: -350.690882
where:
bonds (distance) C4'-P energy: -75.098
bonds (distance) P-C4' energy: -69.808
flat angles C4'-P-C4' energy: -75.049
flat angles P-C4'-P energy: -43.620
tors. eta vs tors. theta energy: -87.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 530
Temperature: 1.250000
Total energy: -567.145823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.145823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.145823 (E_RNA)
where:
Base-Base interactions energy: -315.144
where: short stacking energy: -169.128
Base-Backbone interact. energy: -1.630
local terms energy: -250.371904
where:
bonds (distance) C4'-P energy: -64.965
bonds (distance) P-C4' energy: -66.804
flat angles C4'-P-C4' energy: -62.157
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: -27.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 530
Temperature: 1.300000
Total energy: -356.444222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.444222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.444222 (E_RNA)
where:
Base-Base interactions energy: -145.645
where: short stacking energy: -91.047
Base-Backbone interact. energy: -2.513
local terms energy: -208.286497
where:
bonds (distance) C4'-P energy: -72.236
bonds (distance) P-C4' energy: -67.166
flat angles C4'-P-C4' energy: -49.239
flat angles P-C4'-P energy: -32.496
tors. eta vs tors. theta energy: 12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 530
Temperature: 1.350000
Total energy: -327.241351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.241351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.241351 (E_RNA)
where:
Base-Base interactions energy: -122.291
where: short stacking energy: -80.909
Base-Backbone interact. energy: 3.725
local terms energy: -208.676229
where:
bonds (distance) C4'-P energy: -59.894
bonds (distance) P-C4' energy: -77.824
flat angles C4'-P-C4' energy: -54.721
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: 4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 531
Temperature: 0.900000
Total energy: -1391.766418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.766418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.766418 (E_RNA)
where:
Base-Base interactions energy: -971.559
where: short stacking energy: -383.923
Base-Backbone interact. energy: -1.668
local terms energy: -418.538953
where:
bonds (distance) C4'-P energy: -78.128
bonds (distance) P-C4' energy: -77.944
flat angles C4'-P-C4' energy: -91.850
flat angles P-C4'-P energy: -51.154
tors. eta vs tors. theta energy: -119.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 531
Temperature: 0.950000
Total energy: -1372.384051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.384051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.384051 (E_RNA)
where:
Base-Base interactions energy: -941.342
where: short stacking energy: -394.245
Base-Backbone interact. energy: -0.766
local terms energy: -430.276582
where:
bonds (distance) C4'-P energy: -83.298
bonds (distance) P-C4' energy: -79.794
flat angles C4'-P-C4' energy: -89.467
flat angles P-C4'-P energy: -56.642
tors. eta vs tors. theta energy: -121.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 531
Temperature: 1.000000
Total energy: -1318.551479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.551479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.551479 (E_RNA)
where:
Base-Base interactions energy: -917.863
where: short stacking energy: -377.405
Base-Backbone interact. energy: -0.460
local terms energy: -400.229375
where:
bonds (distance) C4'-P energy: -70.085
bonds (distance) P-C4' energy: -79.768
flat angles C4'-P-C4' energy: -90.648
flat angles P-C4'-P energy: -45.354
tors. eta vs tors. theta energy: -114.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 531
Temperature: 1.050000
Total energy: -1183.706773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.706773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.706773 (E_RNA)
where:
Base-Base interactions energy: -809.603
where: short stacking energy: -353.385
Base-Backbone interact. energy: -1.185
local terms energy: -372.919520
where:
bonds (distance) C4'-P energy: -58.477
bonds (distance) P-C4' energy: -75.799
flat angles C4'-P-C4' energy: -80.127
flat angles P-C4'-P energy: -53.627
tors. eta vs tors. theta energy: -104.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 531
Temperature: 1.100000
Total energy: -1182.741098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.741098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.741098 (E_RNA)
where:
Base-Base interactions energy: -819.976
where: short stacking energy: -312.385
Base-Backbone interact. energy: -0.570
local terms energy: -362.194597
where:
bonds (distance) C4'-P energy: -69.235
bonds (distance) P-C4' energy: -76.403
flat angles C4'-P-C4' energy: -82.682
flat angles P-C4'-P energy: -40.326
tors. eta vs tors. theta energy: -93.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 531
Temperature: 1.150000
Total energy: -1087.941912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.941912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.941912 (E_RNA)
where:
Base-Base interactions energy: -715.982
where: short stacking energy: -293.671
Base-Backbone interact. energy: -1.277
local terms energy: -370.683040
where:
bonds (distance) C4'-P energy: -69.692
bonds (distance) P-C4' energy: -68.336
flat angles C4'-P-C4' energy: -82.868
flat angles P-C4'-P energy: -59.619
tors. eta vs tors. theta energy: -90.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 531
Temperature: 1.200000
Total energy: -1018.955466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.955466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.955466 (E_RNA)
where:
Base-Base interactions energy: -651.517
where: short stacking energy: -283.162
Base-Backbone interact. energy: -0.927
local terms energy: -366.511277
where:
bonds (distance) C4'-P energy: -77.671
bonds (distance) P-C4' energy: -68.235
flat angles C4'-P-C4' energy: -74.106
flat angles P-C4'-P energy: -57.846
tors. eta vs tors. theta energy: -88.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 531
Temperature: 1.250000
Total energy: -572.852587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.852587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.852587 (E_RNA)
where:
Base-Base interactions energy: -323.624
where: short stacking energy: -154.878
Base-Backbone interact. energy: 1.993
local terms energy: -251.221629
where:
bonds (distance) C4'-P energy: -73.114
bonds (distance) P-C4' energy: -80.065
flat angles C4'-P-C4' energy: -44.651
flat angles P-C4'-P energy: -45.710
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 531
Temperature: 1.300000
Total energy: -385.909838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.909838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.909838 (E_RNA)
where:
Base-Base interactions energy: -168.326
where: short stacking energy: -95.740
Base-Backbone interact. energy: 2.167
local terms energy: -219.751414
where:
bonds (distance) C4'-P energy: -69.506
bonds (distance) P-C4' energy: -57.250
flat angles C4'-P-C4' energy: -71.856
flat angles P-C4'-P energy: -42.655
tors. eta vs tors. theta energy: 21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 531
Temperature: 1.350000
Total energy: -339.161847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.161847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.161847 (E_RNA)
where:
Base-Base interactions energy: -114.465
where: short stacking energy: -88.736
Base-Backbone interact. energy: -2.547
local terms energy: -222.150494
where:
bonds (distance) C4'-P energy: -66.740
bonds (distance) P-C4' energy: -81.990
flat angles C4'-P-C4' energy: -53.079
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: 4.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 532
Temperature: 0.900000
Total energy: -1382.983055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.983055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.983055 (E_RNA)
where:
Base-Base interactions energy: -966.310
where: short stacking energy: -386.265
Base-Backbone interact. energy: -1.042
local terms energy: -415.631106
where:
bonds (distance) C4'-P energy: -70.000
bonds (distance) P-C4' energy: -81.879
flat angles C4'-P-C4' energy: -80.478
flat angles P-C4'-P energy: -63.238
tors. eta vs tors. theta energy: -120.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 532
Temperature: 0.950000
Total energy: -1378.316529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.316529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.316529 (E_RNA)
where:
Base-Base interactions energy: -945.475
where: short stacking energy: -401.918
Base-Backbone interact. energy: 0.648
local terms energy: -433.489479
where:
bonds (distance) C4'-P energy: -77.671
bonds (distance) P-C4' energy: -73.939
flat angles C4'-P-C4' energy: -96.121
flat angles P-C4'-P energy: -57.403
tors. eta vs tors. theta energy: -128.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 532
Temperature: 1.000000
Total energy: -1337.551985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.551985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.551985 (E_RNA)
where:
Base-Base interactions energy: -935.923
where: short stacking energy: -372.449
Base-Backbone interact. energy: -2.289
local terms energy: -399.339972
where:
bonds (distance) C4'-P energy: -66.648
bonds (distance) P-C4' energy: -78.979
flat angles C4'-P-C4' energy: -86.562
flat angles P-C4'-P energy: -57.251
tors. eta vs tors. theta energy: -109.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 532
Temperature: 1.050000
Total energy: -1223.309985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.309985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.309985 (E_RNA)
where:
Base-Base interactions energy: -849.090
where: short stacking energy: -361.387
Base-Backbone interact. energy: -2.497
local terms energy: -371.723114
where:
bonds (distance) C4'-P energy: -62.773
bonds (distance) P-C4' energy: -70.127
flat angles C4'-P-C4' energy: -84.598
flat angles P-C4'-P energy: -53.903
tors. eta vs tors. theta energy: -100.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 532
Temperature: 1.100000
Total energy: -1155.798190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.798190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.798190 (E_RNA)
where:
Base-Base interactions energy: -790.931
where: short stacking energy: -295.978
Base-Backbone interact. energy: -0.690
local terms energy: -364.177279
where:
bonds (distance) C4'-P energy: -72.504
bonds (distance) P-C4' energy: -79.522
flat angles C4'-P-C4' energy: -81.037
flat angles P-C4'-P energy: -49.037
tors. eta vs tors. theta energy: -82.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 532
Temperature: 1.150000
Total energy: -1057.768077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.768077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.768077 (E_RNA)
where:
Base-Base interactions energy: -701.549
where: short stacking energy: -299.288
Base-Backbone interact. energy: -1.014
local terms energy: -355.205082
where:
bonds (distance) C4'-P energy: -74.772
bonds (distance) P-C4' energy: -73.728
flat angles C4'-P-C4' energy: -77.438
flat angles P-C4'-P energy: -49.500
tors. eta vs tors. theta energy: -79.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 532
Temperature: 1.200000
Total energy: -936.842908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.842908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.842908 (E_RNA)
where:
Base-Base interactions energy: -601.142
where: short stacking energy: -252.793
Base-Backbone interact. energy: -2.331
local terms energy: -333.369694
where:
bonds (distance) C4'-P energy: -59.292
bonds (distance) P-C4' energy: -69.302
flat angles C4'-P-C4' energy: -75.992
flat angles P-C4'-P energy: -52.608
tors. eta vs tors. theta energy: -76.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 532
Temperature: 1.250000
Total energy: -593.512662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.512662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.512662 (E_RNA)
where:
Base-Base interactions energy: -354.275
where: short stacking energy: -188.674
Base-Backbone interact. energy: -1.147
local terms energy: -238.091102
where:
bonds (distance) C4'-P energy: -48.657
bonds (distance) P-C4' energy: -69.024
flat angles C4'-P-C4' energy: -66.438
flat angles P-C4'-P energy: -29.834
tors. eta vs tors. theta energy: -24.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 532
Temperature: 1.300000
Total energy: -400.037330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.037330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.037330 (E_RNA)
where:
Base-Base interactions energy: -181.184
where: short stacking energy: -95.260
Base-Backbone interact. energy: -1.454
local terms energy: -217.399691
where:
bonds (distance) C4'-P energy: -57.155
bonds (distance) P-C4' energy: -73.013
flat angles C4'-P-C4' energy: -51.237
flat angles P-C4'-P energy: -41.078
tors. eta vs tors. theta energy: 5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 532
Temperature: 1.350000
Total energy: -331.518656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.518656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.518656 (E_RNA)
where:
Base-Base interactions energy: -116.983
where: short stacking energy: -74.772
Base-Backbone interact. energy: -0.776
local terms energy: -213.759746
where:
bonds (distance) C4'-P energy: -69.616
bonds (distance) P-C4' energy: -67.572
flat angles C4'-P-C4' energy: -55.715
flat angles P-C4'-P energy: -41.581
tors. eta vs tors. theta energy: 20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 533
Temperature: 0.900000
Total energy: -1393.656277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.656277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.656277 (E_RNA)
where:
Base-Base interactions energy: -966.411
where: short stacking energy: -388.862
Base-Backbone interact. energy: -2.384
local terms energy: -424.860611
where:
bonds (distance) C4'-P energy: -79.578
bonds (distance) P-C4' energy: -85.784
flat angles C4'-P-C4' energy: -83.682
flat angles P-C4'-P energy: -61.669
tors. eta vs tors. theta energy: -114.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 533
Temperature: 0.950000
Total energy: -1380.871589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.871589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.871589 (E_RNA)
where:
Base-Base interactions energy: -957.830
where: short stacking energy: -404.042
Base-Backbone interact. energy: 1.461
local terms energy: -424.502451
where:
bonds (distance) C4'-P energy: -76.668
bonds (distance) P-C4' energy: -73.845
flat angles C4'-P-C4' energy: -88.833
flat angles P-C4'-P energy: -65.856
tors. eta vs tors. theta energy: -119.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 533
Temperature: 1.000000
Total energy: -1306.221919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.221919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.221919 (E_RNA)
where:
Base-Base interactions energy: -903.371
where: short stacking energy: -351.116
Base-Backbone interact. energy: 1.126
local terms energy: -403.977371
where:
bonds (distance) C4'-P energy: -76.186
bonds (distance) P-C4' energy: -69.120
flat angles C4'-P-C4' energy: -82.906
flat angles P-C4'-P energy: -56.279
tors. eta vs tors. theta energy: -119.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 533
Temperature: 1.050000
Total energy: -1190.840745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.840745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.840745 (E_RNA)
where:
Base-Base interactions energy: -817.761
where: short stacking energy: -351.091
Base-Backbone interact. energy: -1.993
local terms energy: -371.086101
where:
bonds (distance) C4'-P energy: -70.549
bonds (distance) P-C4' energy: -68.390
flat angles C4'-P-C4' energy: -75.351
flat angles P-C4'-P energy: -50.304
tors. eta vs tors. theta energy: -106.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 533
Temperature: 1.100000
Total energy: -1124.987592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.987592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.987592 (E_RNA)
where:
Base-Base interactions energy: -805.038
where: short stacking energy: -289.881
Base-Backbone interact. energy: -1.414
local terms energy: -318.536071
where:
bonds (distance) C4'-P energy: -58.430
bonds (distance) P-C4' energy: -60.220
flat angles C4'-P-C4' energy: -62.810
flat angles P-C4'-P energy: -47.915
tors. eta vs tors. theta energy: -89.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 533
Temperature: 1.150000
Total energy: -1109.917773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.917773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.917773 (E_RNA)
where:
Base-Base interactions energy: -744.283
where: short stacking energy: -334.477
Base-Backbone interact. energy: -0.424
local terms energy: -365.211406
where:
bonds (distance) C4'-P energy: -75.918
bonds (distance) P-C4' energy: -70.917
flat angles C4'-P-C4' energy: -78.666
flat angles P-C4'-P energy: -41.430
tors. eta vs tors. theta energy: -98.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 533
Temperature: 1.200000
Total energy: -940.243160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.243160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.243160 (E_RNA)
where:
Base-Base interactions energy: -601.130
where: short stacking energy: -279.916
Base-Backbone interact. energy: -0.382
local terms energy: -338.731525
where:
bonds (distance) C4'-P energy: -73.462
bonds (distance) P-C4' energy: -60.532
flat angles C4'-P-C4' energy: -70.244
flat angles P-C4'-P energy: -53.912
tors. eta vs tors. theta energy: -80.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 533
Temperature: 1.250000
Total energy: -537.132909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.132909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.132909 (E_RNA)
where:
Base-Base interactions energy: -301.455
where: short stacking energy: -168.896
Base-Backbone interact. energy: 0.616
local terms energy: -236.293145
where:
bonds (distance) C4'-P energy: -41.433
bonds (distance) P-C4' energy: -71.580
flat angles C4'-P-C4' energy: -63.262
flat angles P-C4'-P energy: -42.650
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 533
Temperature: 1.300000
Total energy: -406.354205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.354205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.354205 (E_RNA)
where:
Base-Base interactions energy: -191.404
where: short stacking energy: -127.103
Base-Backbone interact. energy: -2.162
local terms energy: -212.788466
where:
bonds (distance) C4'-P energy: -62.974
bonds (distance) P-C4' energy: -58.160
flat angles C4'-P-C4' energy: -52.949
flat angles P-C4'-P energy: -33.515
tors. eta vs tors. theta energy: -5.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 533
Temperature: 1.350000
Total energy: -327.547719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.547719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.547719 (E_RNA)
where:
Base-Base interactions energy: -106.972
where: short stacking energy: -80.872
Base-Backbone interact. energy: -2.018
local terms energy: -218.558013
where:
bonds (distance) C4'-P energy: -55.056
bonds (distance) P-C4' energy: -72.266
flat angles C4'-P-C4' energy: -67.699
flat angles P-C4'-P energy: -40.399
tors. eta vs tors. theta energy: 16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 534
Temperature: 0.900000
Total energy: -1404.410424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.410424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.410424 (E_RNA)
where:
Base-Base interactions energy: -953.705
where: short stacking energy: -416.319
Base-Backbone interact. energy: -1.425
local terms energy: -449.280328
where:
bonds (distance) C4'-P energy: -83.525
bonds (distance) P-C4' energy: -78.872
flat angles C4'-P-C4' energy: -91.344
flat angles P-C4'-P energy: -66.116
tors. eta vs tors. theta energy: -129.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 534
Temperature: 0.950000
Total energy: -1388.485604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.485604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.485604 (E_RNA)
where:
Base-Base interactions energy: -954.576
where: short stacking energy: -394.557
Base-Backbone interact. energy: -1.822
local terms energy: -432.087687
where:
bonds (distance) C4'-P energy: -81.309
bonds (distance) P-C4' energy: -67.072
flat angles C4'-P-C4' energy: -92.858
flat angles P-C4'-P energy: -70.342
tors. eta vs tors. theta energy: -120.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 534
Temperature: 1.000000
Total energy: -1312.325396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.325396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.325396 (E_RNA)
where:
Base-Base interactions energy: -902.389
where: short stacking energy: -387.067
Base-Backbone interact. energy: 4.109
local terms energy: -414.044490
where:
bonds (distance) C4'-P energy: -74.796
bonds (distance) P-C4' energy: -77.039
flat angles C4'-P-C4' energy: -87.260
flat angles P-C4'-P energy: -64.851
tors. eta vs tors. theta energy: -110.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 534
Temperature: 1.050000
Total energy: -1211.429032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.429032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.429032 (E_RNA)
where:
Base-Base interactions energy: -803.678
where: short stacking energy: -350.819
Base-Backbone interact. energy: -0.956
local terms energy: -406.794788
where:
bonds (distance) C4'-P energy: -75.882
bonds (distance) P-C4' energy: -80.754
flat angles C4'-P-C4' energy: -89.157
flat angles P-C4'-P energy: -54.941
tors. eta vs tors. theta energy: -106.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 534
Temperature: 1.100000
Total energy: -1150.258424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.258424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.258424 (E_RNA)
where:
Base-Base interactions energy: -782.592
where: short stacking energy: -315.681
Base-Backbone interact. energy: -1.127
local terms energy: -366.539709
where:
bonds (distance) C4'-P energy: -65.253
bonds (distance) P-C4' energy: -67.963
flat angles C4'-P-C4' energy: -80.155
flat angles P-C4'-P energy: -56.504
tors. eta vs tors. theta energy: -96.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 534
Temperature: 1.150000
Total energy: -1101.101468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.101468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.101468 (E_RNA)
where:
Base-Base interactions energy: -754.192
where: short stacking energy: -309.268
Base-Backbone interact. energy: -2.942
local terms energy: -343.967892
where:
bonds (distance) C4'-P energy: -70.257
bonds (distance) P-C4' energy: -66.476
flat angles C4'-P-C4' energy: -82.106
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -82.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 534
Temperature: 1.200000
Total energy: -906.463565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.463565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.463565 (E_RNA)
where:
Base-Base interactions energy: -589.084
where: short stacking energy: -258.066
Base-Backbone interact. energy: -0.363
local terms energy: -317.016226
where:
bonds (distance) C4'-P energy: -79.317
bonds (distance) P-C4' energy: -58.890
flat angles C4'-P-C4' energy: -69.308
flat angles P-C4'-P energy: -37.849
tors. eta vs tors. theta energy: -71.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 534
Temperature: 1.250000
Total energy: -559.040914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.040914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.040914 (E_RNA)
where:
Base-Base interactions energy: -325.637
where: short stacking energy: -150.522
Base-Backbone interact. energy: 2.686
local terms energy: -236.090160
where:
bonds (distance) C4'-P energy: -63.001
bonds (distance) P-C4' energy: -71.640
flat angles C4'-P-C4' energy: -47.034
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 534
Temperature: 1.300000
Total energy: -353.566993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.566993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.566993 (E_RNA)
where:
Base-Base interactions energy: -142.789
where: short stacking energy: -137.983
Base-Backbone interact. energy: -0.637
local terms energy: -210.140738
where:
bonds (distance) C4'-P energy: -51.206
bonds (distance) P-C4' energy: -60.804
flat angles C4'-P-C4' energy: -50.501
flat angles P-C4'-P energy: -38.323
tors. eta vs tors. theta energy: -9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 534
Temperature: 1.350000
Total energy: -326.740702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.740702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.740702 (E_RNA)
where:
Base-Base interactions energy: -133.465
where: short stacking energy: -99.765
Base-Backbone interact. energy: 2.520
local terms energy: -195.796129
where:
bonds (distance) C4'-P energy: -62.999
bonds (distance) P-C4' energy: -64.627
flat angles C4'-P-C4' energy: -39.315
flat angles P-C4'-P energy: -41.189
tors. eta vs tors. theta energy: 12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 535
Temperature: 0.900000
Total energy: -1417.949784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.949784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.949784 (E_RNA)
where:
Base-Base interactions energy: -983.722
where: short stacking energy: -406.292
Base-Backbone interact. energy: -0.731
local terms energy: -433.497340
where:
bonds (distance) C4'-P energy: -74.599
bonds (distance) P-C4' energy: -82.506
flat angles C4'-P-C4' energy: -90.399
flat angles P-C4'-P energy: -57.317
tors. eta vs tors. theta energy: -128.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 535
Temperature: 0.950000
Total energy: -1368.295957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.295957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.295957 (E_RNA)
where:
Base-Base interactions energy: -943.600
where: short stacking energy: -391.706
Base-Backbone interact. energy: -1.313
local terms energy: -423.382805
where:
bonds (distance) C4'-P energy: -75.941
bonds (distance) P-C4' energy: -77.678
flat angles C4'-P-C4' energy: -84.256
flat angles P-C4'-P energy: -64.031
tors. eta vs tors. theta energy: -121.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 535
Temperature: 1.000000
Total energy: -1304.824261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.824261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.824261 (E_RNA)
where:
Base-Base interactions energy: -898.992
where: short stacking energy: -376.097
Base-Backbone interact. energy: -0.834
local terms energy: -404.997690
where:
bonds (distance) C4'-P energy: -71.233
bonds (distance) P-C4' energy: -76.209
flat angles C4'-P-C4' energy: -83.485
flat angles P-C4'-P energy: -55.883
tors. eta vs tors. theta energy: -118.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 535
Temperature: 1.050000
Total energy: -1182.268597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.268597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.268597 (E_RNA)
where:
Base-Base interactions energy: -783.584
where: short stacking energy: -350.620
Base-Backbone interact. energy: -1.889
local terms energy: -396.796170
where:
bonds (distance) C4'-P energy: -75.523
bonds (distance) P-C4' energy: -76.815
flat angles C4'-P-C4' energy: -72.676
flat angles P-C4'-P energy: -60.299
tors. eta vs tors. theta energy: -111.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 535
Temperature: 1.100000
Total energy: -1169.257213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.257213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.257213 (E_RNA)
where:
Base-Base interactions energy: -782.357
where: short stacking energy: -340.956
Base-Backbone interact. energy: -1.300
local terms energy: -385.599803
where:
bonds (distance) C4'-P energy: -66.228
bonds (distance) P-C4' energy: -79.486
flat angles C4'-P-C4' energy: -79.444
flat angles P-C4'-P energy: -55.626
tors. eta vs tors. theta energy: -104.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 535
Temperature: 1.150000
Total energy: -1090.307587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.307587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.307587 (E_RNA)
where:
Base-Base interactions energy: -731.233
where: short stacking energy: -294.902
Base-Backbone interact. energy: 0.807
local terms energy: -359.881290
where:
bonds (distance) C4'-P energy: -80.471
bonds (distance) P-C4' energy: -73.144
flat angles C4'-P-C4' energy: -81.088
flat angles P-C4'-P energy: -50.095
tors. eta vs tors. theta energy: -75.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 535
Temperature: 1.200000
Total energy: -878.893359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.893359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.893359 (E_RNA)
where:
Base-Base interactions energy: -545.281
where: short stacking energy: -239.320
Base-Backbone interact. energy: -1.833
local terms energy: -331.779884
where:
bonds (distance) C4'-P energy: -71.559
bonds (distance) P-C4' energy: -72.440
flat angles C4'-P-C4' energy: -78.260
flat angles P-C4'-P energy: -49.709
tors. eta vs tors. theta energy: -59.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 535
Temperature: 1.250000
Total energy: -594.516842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.516842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.516842 (E_RNA)
where:
Base-Base interactions energy: -320.911
where: short stacking energy: -181.850
Base-Backbone interact. energy: -1.555
local terms energy: -272.049944
where:
bonds (distance) C4'-P energy: -50.113
bonds (distance) P-C4' energy: -76.584
flat angles C4'-P-C4' energy: -66.590
flat angles P-C4'-P energy: -45.449
tors. eta vs tors. theta energy: -33.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 535
Temperature: 1.300000
Total energy: -362.311827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.311827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.311827 (E_RNA)
where:
Base-Base interactions energy: -162.912
where: short stacking energy: -130.234
Base-Backbone interact. energy: 3.716
local terms energy: -203.115475
where:
bonds (distance) C4'-P energy: -59.238
bonds (distance) P-C4' energy: -66.805
flat angles C4'-P-C4' energy: -50.015
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 535
Temperature: 1.350000
Total energy: -314.677223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.677223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.677223 (E_RNA)
where:
Base-Base interactions energy: -124.963
where: short stacking energy: -88.734
Base-Backbone interact. energy: -0.066
local terms energy: -189.647846
where:
bonds (distance) C4'-P energy: -68.727
bonds (distance) P-C4' energy: -71.737
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: 12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 536
Temperature: 0.900000
Total energy: -1394.520971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.520971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.520971 (E_RNA)
where:
Base-Base interactions energy: -973.417
where: short stacking energy: -417.816
Base-Backbone interact. energy: -1.602
local terms energy: -419.501749
where:
bonds (distance) C4'-P energy: -62.671
bonds (distance) P-C4' energy: -77.105
flat angles C4'-P-C4' energy: -83.611
flat angles P-C4'-P energy: -65.933
tors. eta vs tors. theta energy: -130.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 536
Temperature: 0.950000
Total energy: -1393.170746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.170746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.170746 (E_RNA)
where:
Base-Base interactions energy: -954.693
where: short stacking energy: -409.757
Base-Backbone interact. energy: -0.553
local terms energy: -437.924871
where:
bonds (distance) C4'-P energy: -74.717
bonds (distance) P-C4' energy: -83.781
flat angles C4'-P-C4' energy: -88.811
flat angles P-C4'-P energy: -66.402
tors. eta vs tors. theta energy: -124.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 536
Temperature: 1.000000
Total energy: -1319.988650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.988650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.988650 (E_RNA)
where:
Base-Base interactions energy: -925.549
where: short stacking energy: -363.819
Base-Backbone interact. energy: -0.767
local terms energy: -393.673333
where:
bonds (distance) C4'-P energy: -61.829
bonds (distance) P-C4' energy: -70.944
flat angles C4'-P-C4' energy: -87.191
flat angles P-C4'-P energy: -53.628
tors. eta vs tors. theta energy: -120.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 536
Temperature: 1.050000
Total energy: -1173.878754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.878754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.878754 (E_RNA)
where:
Base-Base interactions energy: -777.186
where: short stacking energy: -340.540
Base-Backbone interact. energy: 0.840
local terms energy: -397.532339
where:
bonds (distance) C4'-P energy: -78.336
bonds (distance) P-C4' energy: -73.723
flat angles C4'-P-C4' energy: -89.064
flat angles P-C4'-P energy: -52.047
tors. eta vs tors. theta energy: -104.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 536
Temperature: 1.100000
Total energy: -1162.117790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.117790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.117790 (E_RNA)
where:
Base-Base interactions energy: -766.155
where: short stacking energy: -346.018
Base-Backbone interact. energy: 0.001
local terms energy: -395.963384
where:
bonds (distance) C4'-P energy: -75.344
bonds (distance) P-C4' energy: -72.993
flat angles C4'-P-C4' energy: -88.900
flat angles P-C4'-P energy: -52.118
tors. eta vs tors. theta energy: -106.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 536
Temperature: 1.150000
Total energy: -1043.158049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.158049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.158049 (E_RNA)
where:
Base-Base interactions energy: -717.145
where: short stacking energy: -271.205
Base-Backbone interact. energy: 0.427
local terms energy: -326.439900
where:
bonds (distance) C4'-P energy: -80.674
bonds (distance) P-C4' energy: -59.533
flat angles C4'-P-C4' energy: -71.893
flat angles P-C4'-P energy: -50.990
tors. eta vs tors. theta energy: -63.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 536
Temperature: 1.200000
Total energy: -903.821065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.821065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.821065 (E_RNA)
where:
Base-Base interactions energy: -598.736
where: short stacking energy: -259.603
Base-Backbone interact. energy: -0.780
local terms energy: -304.305652
where:
bonds (distance) C4'-P energy: -58.412
bonds (distance) P-C4' energy: -66.336
flat angles C4'-P-C4' energy: -65.114
flat angles P-C4'-P energy: -40.227
tors. eta vs tors. theta energy: -74.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 536
Temperature: 1.250000
Total energy: -579.941421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.941421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.941421 (E_RNA)
where:
Base-Base interactions energy: -309.794
where: short stacking energy: -173.612
Base-Backbone interact. energy: -0.930
local terms energy: -269.216980
where:
bonds (distance) C4'-P energy: -74.898
bonds (distance) P-C4' energy: -68.675
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -48.999
tors. eta vs tors. theta energy: -19.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 536
Temperature: 1.300000
Total energy: -384.746439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.746439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.746439 (E_RNA)
where:
Base-Base interactions energy: -147.813
where: short stacking energy: -98.691
Base-Backbone interact. energy: 1.592
local terms energy: -238.525741
where:
bonds (distance) C4'-P energy: -75.866
bonds (distance) P-C4' energy: -68.486
flat angles C4'-P-C4' energy: -67.933
flat angles P-C4'-P energy: -39.031
tors. eta vs tors. theta energy: 12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 536
Temperature: 1.350000
Total energy: -358.852511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.852511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.852511 (E_RNA)
where:
Base-Base interactions energy: -151.297
where: short stacking energy: -106.472
Base-Backbone interact. energy: -2.841
local terms energy: -204.713945
where:
bonds (distance) C4'-P energy: -68.576
bonds (distance) P-C4' energy: -64.953
flat angles C4'-P-C4' energy: -49.027
flat angles P-C4'-P energy: -31.832
tors. eta vs tors. theta energy: 9.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 537
Temperature: 0.900000
Total energy: -1371.815142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.815142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.815142 (E_RNA)
where:
Base-Base interactions energy: -936.183
where: short stacking energy: -399.152
Base-Backbone interact. energy: 2.604
local terms energy: -438.235906
where:
bonds (distance) C4'-P energy: -77.408
bonds (distance) P-C4' energy: -86.722
flat angles C4'-P-C4' energy: -90.460
flat angles P-C4'-P energy: -61.699
tors. eta vs tors. theta energy: -121.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 537
Temperature: 0.950000
Total energy: -1375.632919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.632919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.632919 (E_RNA)
where:
Base-Base interactions energy: -954.019
where: short stacking energy: -384.368
Base-Backbone interact. energy: -0.383
local terms energy: -421.230879
where:
bonds (distance) C4'-P energy: -79.818
bonds (distance) P-C4' energy: -73.851
flat angles C4'-P-C4' energy: -89.258
flat angles P-C4'-P energy: -58.376
tors. eta vs tors. theta energy: -119.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 537
Temperature: 1.000000
Total energy: -1319.318966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.318966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.318966 (E_RNA)
where:
Base-Base interactions energy: -913.983
where: short stacking energy: -362.752
Base-Backbone interact. energy: 0.054
local terms energy: -405.389990
where:
bonds (distance) C4'-P energy: -74.678
bonds (distance) P-C4' energy: -75.502
flat angles C4'-P-C4' energy: -88.855
flat angles P-C4'-P energy: -54.532
tors. eta vs tors. theta energy: -111.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 537
Temperature: 1.050000
Total energy: -1174.716192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.716192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.716192 (E_RNA)
where:
Base-Base interactions energy: -779.619
where: short stacking energy: -356.283
Base-Backbone interact. energy: 2.042
local terms energy: -397.139819
where:
bonds (distance) C4'-P energy: -85.072
bonds (distance) P-C4' energy: -65.341
flat angles C4'-P-C4' energy: -89.305
flat angles P-C4'-P energy: -51.042
tors. eta vs tors. theta energy: -106.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 537
Temperature: 1.100000
Total energy: -1134.151882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.151882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.151882 (E_RNA)
where:
Base-Base interactions energy: -769.366
where: short stacking energy: -343.936
Base-Backbone interact. energy: -1.041
local terms energy: -363.745048
where:
bonds (distance) C4'-P energy: -68.944
bonds (distance) P-C4' energy: -64.303
flat angles C4'-P-C4' energy: -77.579
flat angles P-C4'-P energy: -47.608
tors. eta vs tors. theta energy: -105.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 537
Temperature: 1.150000
Total energy: -1073.014460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.014460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.014460 (E_RNA)
where:
Base-Base interactions energy: -707.232
where: short stacking energy: -284.949
Base-Backbone interact. energy: -2.674
local terms energy: -363.108736
where:
bonds (distance) C4'-P energy: -75.371
bonds (distance) P-C4' energy: -77.036
flat angles C4'-P-C4' energy: -79.090
flat angles P-C4'-P energy: -49.004
tors. eta vs tors. theta energy: -82.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 537
Temperature: 1.200000
Total energy: -901.223515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.223515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.223515 (E_RNA)
where:
Base-Base interactions energy: -595.495
where: short stacking energy: -262.500
Base-Backbone interact. energy: -1.071
local terms energy: -304.657504
where:
bonds (distance) C4'-P energy: -51.625
bonds (distance) P-C4' energy: -63.154
flat angles C4'-P-C4' energy: -72.689
flat angles P-C4'-P energy: -44.507
tors. eta vs tors. theta energy: -72.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 537
Temperature: 1.250000
Total energy: -569.979295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.979295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.979295 (E_RNA)
where:
Base-Base interactions energy: -308.423
where: short stacking energy: -170.391
Base-Backbone interact. energy: -0.559
local terms energy: -260.996890
where:
bonds (distance) C4'-P energy: -56.860
bonds (distance) P-C4' energy: -79.568
flat angles C4'-P-C4' energy: -63.275
flat angles P-C4'-P energy: -44.596
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 537
Temperature: 1.300000
Total energy: -344.689742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.689742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.689742 (E_RNA)
where:
Base-Base interactions energy: -103.923
where: short stacking energy: -88.076
Base-Backbone interact. energy: -1.186
local terms energy: -239.580001
where:
bonds (distance) C4'-P energy: -65.276
bonds (distance) P-C4' energy: -77.871
flat angles C4'-P-C4' energy: -69.146
flat angles P-C4'-P energy: -34.713
tors. eta vs tors. theta energy: 7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 537
Temperature: 1.350000
Total energy: -375.944727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.944727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.944727 (E_RNA)
where:
Base-Base interactions energy: -150.055
where: short stacking energy: -103.986
Base-Backbone interact. energy: -0.863
local terms energy: -225.027004
where:
bonds (distance) C4'-P energy: -61.764
bonds (distance) P-C4' energy: -62.758
flat angles C4'-P-C4' energy: -66.387
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: 0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 538
Temperature: 0.900000
Total energy: -1385.502349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.502349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.502349 (E_RNA)
where:
Base-Base interactions energy: -949.793
where: short stacking energy: -405.290
Base-Backbone interact. energy: -2.128
local terms energy: -433.581128
where:
bonds (distance) C4'-P energy: -77.044
bonds (distance) P-C4' energy: -89.557
flat angles C4'-P-C4' energy: -92.549
flat angles P-C4'-P energy: -50.718
tors. eta vs tors. theta energy: -123.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 538
Temperature: 0.950000
Total energy: -1372.063401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.063401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.063401 (E_RNA)
where:
Base-Base interactions energy: -941.364
where: short stacking energy: -390.155
Base-Backbone interact. energy: -0.354
local terms energy: -430.345298
where:
bonds (distance) C4'-P energy: -80.757
bonds (distance) P-C4' energy: -74.600
flat angles C4'-P-C4' energy: -93.065
flat angles P-C4'-P energy: -57.929
tors. eta vs tors. theta energy: -123.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 538
Temperature: 1.000000
Total energy: -1290.393659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.393659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.393659 (E_RNA)
where:
Base-Base interactions energy: -887.414
where: short stacking energy: -356.321
Base-Backbone interact. energy: -0.596
local terms energy: -402.384231
where:
bonds (distance) C4'-P energy: -70.658
bonds (distance) P-C4' energy: -70.214
flat angles C4'-P-C4' energy: -90.600
flat angles P-C4'-P energy: -56.858
tors. eta vs tors. theta energy: -114.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 538
Temperature: 1.050000
Total energy: -1179.463567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.463567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.463567 (E_RNA)
where:
Base-Base interactions energy: -796.196
where: short stacking energy: -345.331
Base-Backbone interact. energy: -0.795
local terms energy: -382.472955
where:
bonds (distance) C4'-P energy: -76.653
bonds (distance) P-C4' energy: -75.076
flat angles C4'-P-C4' energy: -88.209
flat angles P-C4'-P energy: -45.737
tors. eta vs tors. theta energy: -96.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 538
Temperature: 1.100000
Total energy: -1105.510130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.510130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.510130 (E_RNA)
where:
Base-Base interactions energy: -765.037
where: short stacking energy: -288.156
Base-Backbone interact. energy: -0.855
local terms energy: -339.618675
where:
bonds (distance) C4'-P energy: -77.622
bonds (distance) P-C4' energy: -69.029
flat angles C4'-P-C4' energy: -77.274
flat angles P-C4'-P energy: -49.778
tors. eta vs tors. theta energy: -65.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 538
Temperature: 1.150000
Total energy: -1088.018737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.018737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.018737 (E_RNA)
where:
Base-Base interactions energy: -721.312
where: short stacking energy: -311.867
Base-Backbone interact. energy: -1.404
local terms energy: -365.303004
where:
bonds (distance) C4'-P energy: -62.407
bonds (distance) P-C4' energy: -76.677
flat angles C4'-P-C4' energy: -78.558
flat angles P-C4'-P energy: -52.273
tors. eta vs tors. theta energy: -95.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 538
Temperature: 1.200000
Total energy: -876.325005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.325005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.325005 (E_RNA)
where:
Base-Base interactions energy: -551.223
where: short stacking energy: -241.660
Base-Backbone interact. energy: -2.276
local terms energy: -322.826341
where:
bonds (distance) C4'-P energy: -66.760
bonds (distance) P-C4' energy: -73.452
flat angles C4'-P-C4' energy: -73.369
flat angles P-C4'-P energy: -43.927
tors. eta vs tors. theta energy: -65.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 538
Temperature: 1.250000
Total energy: -605.738649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.738649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.738649 (E_RNA)
where:
Base-Base interactions energy: -344.405
where: short stacking energy: -184.627
Base-Backbone interact. energy: 0.587
local terms energy: -261.920202
where:
bonds (distance) C4'-P energy: -56.504
bonds (distance) P-C4' energy: -70.173
flat angles C4'-P-C4' energy: -72.413
flat angles P-C4'-P energy: -37.234
tors. eta vs tors. theta energy: -25.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 538
Temperature: 1.300000
Total energy: -436.927137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.927137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.927137 (E_RNA)
where:
Base-Base interactions energy: -211.434
where: short stacking energy: -145.333
Base-Backbone interact. energy: 2.251
local terms energy: -227.744305
where:
bonds (distance) C4'-P energy: -70.207
bonds (distance) P-C4' energy: -65.676
flat angles C4'-P-C4' energy: -51.592
flat angles P-C4'-P energy: -30.187
tors. eta vs tors. theta energy: -10.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 538
Temperature: 1.350000
Total energy: -325.292871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.292871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.292871 (E_RNA)
where:
Base-Base interactions energy: -103.860
where: short stacking energy: -91.467
Base-Backbone interact. energy: -1.685
local terms energy: -219.747945
where:
bonds (distance) C4'-P energy: -55.948
bonds (distance) P-C4' energy: -67.680
flat angles C4'-P-C4' energy: -51.695
flat angles P-C4'-P energy: -44.087
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
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DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 539
Temperature: 0.900000
Total energy: -1397.498755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.498755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.498755 (E_RNA)
where:
Base-Base interactions energy: -962.719
where: short stacking energy: -407.517
Base-Backbone interact. energy: -1.089
local terms energy: -433.690943
where:
bonds (distance) C4'-P energy: -73.944
bonds (distance) P-C4' energy: -83.304
flat angles C4'-P-C4' energy: -88.717
flat angles P-C4'-P energy: -63.587
tors. eta vs tors. theta energy: -124.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 539
Temperature: 0.950000
Total energy: -1354.271107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.271107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.271107 (E_RNA)
where:
Base-Base interactions energy: -933.367
where: short stacking energy: -383.772
Base-Backbone interact. energy: -0.347
local terms energy: -420.557786
where:
bonds (distance) C4'-P energy: -76.684
bonds (distance) P-C4' energy: -76.990
flat angles C4'-P-C4' energy: -85.489
flat angles P-C4'-P energy: -60.035
tors. eta vs tors. theta energy: -121.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 539
Temperature: 1.000000
Total energy: -1315.439928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.439928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.439928 (E_RNA)
where:
Base-Base interactions energy: -878.527
where: short stacking energy: -360.620
Base-Backbone interact. energy: -0.529
local terms energy: -436.383857
where:
bonds (distance) C4'-P energy: -76.642
bonds (distance) P-C4' energy: -77.690
flat angles C4'-P-C4' energy: -94.503
flat angles P-C4'-P energy: -63.614
tors. eta vs tors. theta energy: -123.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 539
Temperature: 1.050000
Total energy: -1187.253720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.253720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.253720 (E_RNA)
where:
Base-Base interactions energy: -805.790
where: short stacking energy: -359.109
Base-Backbone interact. energy: -0.661
local terms energy: -380.802852
where:
bonds (distance) C4'-P energy: -61.495
bonds (distance) P-C4' energy: -69.165
flat angles C4'-P-C4' energy: -84.348
flat angles P-C4'-P energy: -51.383
tors. eta vs tors. theta energy: -114.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 539
Temperature: 1.100000
Total energy: -1137.369892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.369892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.369892 (E_RNA)
where:
Base-Base interactions energy: -756.941
where: short stacking energy: -299.253
Base-Backbone interact. energy: 3.837
local terms energy: -384.266311
where:
bonds (distance) C4'-P energy: -76.160
bonds (distance) P-C4' energy: -86.115
flat angles C4'-P-C4' energy: -76.715
flat angles P-C4'-P energy: -59.953
tors. eta vs tors. theta energy: -85.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 539
Temperature: 1.150000
Total energy: -1011.476161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.476161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.476161 (E_RNA)
where:
Base-Base interactions energy: -684.714
where: short stacking energy: -284.131
Base-Backbone interact. energy: -4.003
local terms energy: -322.758856
where:
bonds (distance) C4'-P energy: -63.277
bonds (distance) P-C4' energy: -71.427
flat angles C4'-P-C4' energy: -73.077
flat angles P-C4'-P energy: -42.772
tors. eta vs tors. theta energy: -72.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 539
Temperature: 1.200000
Total energy: -901.265390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.265390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.265390 (E_RNA)
where:
Base-Base interactions energy: -572.655
where: short stacking energy: -257.937
Base-Backbone interact. energy: -0.549
local terms energy: -328.061984
where:
bonds (distance) C4'-P energy: -71.940
bonds (distance) P-C4' energy: -68.910
flat angles C4'-P-C4' energy: -67.646
flat angles P-C4'-P energy: -51.519
tors. eta vs tors. theta energy: -68.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 539
Temperature: 1.250000
Total energy: -494.776035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.776035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.776035 (E_RNA)
where:
Base-Base interactions energy: -225.216
where: short stacking energy: -122.272
Base-Backbone interact. energy: -1.751
local terms energy: -267.809578
where:
bonds (distance) C4'-P energy: -60.342
bonds (distance) P-C4' energy: -79.969
flat angles C4'-P-C4' energy: -70.443
flat angles P-C4'-P energy: -48.153
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 539
Temperature: 1.300000
Total energy: -514.368127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.368127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.368127 (E_RNA)
where:
Base-Base interactions energy: -278.146
where: short stacking energy: -155.861
Base-Backbone interact. energy: 0.337
local terms energy: -236.559449
where:
bonds (distance) C4'-P energy: -39.987
bonds (distance) P-C4' energy: -68.567
flat angles C4'-P-C4' energy: -55.738
flat angles P-C4'-P energy: -44.770
tors. eta vs tors. theta energy: -27.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 539
Temperature: 1.350000
Total energy: -322.551266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.551266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.551266 (E_RNA)
where:
Base-Base interactions energy: -114.120
where: short stacking energy: -98.854
Base-Backbone interact. energy: 1.464
local terms energy: -209.895522
where:
bonds (distance) C4'-P energy: -54.907
bonds (distance) P-C4' energy: -71.649
flat angles C4'-P-C4' energy: -67.632
flat angles P-C4'-P energy: -24.884
tors. eta vs tors. theta energy: 9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 540
Temperature: 0.900000
Total energy: -1405.074383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.074383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.074383 (E_RNA)
where:
Base-Base interactions energy: -966.424
where: short stacking energy: -379.952
Base-Backbone interact. energy: -1.050
local terms energy: -437.601001
where:
bonds (distance) C4'-P energy: -79.279
bonds (distance) P-C4' energy: -80.728
flat angles C4'-P-C4' energy: -88.636
flat angles P-C4'-P energy: -60.942
tors. eta vs tors. theta energy: -128.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 540
Temperature: 0.950000
Total energy: -1352.805074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.805074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.805074 (E_RNA)
where:
Base-Base interactions energy: -916.718
where: short stacking energy: -381.704
Base-Backbone interact. energy: -1.659
local terms energy: -434.428179
where:
bonds (distance) C4'-P energy: -84.264
bonds (distance) P-C4' energy: -83.433
flat angles C4'-P-C4' energy: -87.646
flat angles P-C4'-P energy: -63.287
tors. eta vs tors. theta energy: -115.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 540
Temperature: 1.000000
Total energy: -1294.223899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.223899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.223899 (E_RNA)
where:
Base-Base interactions energy: -891.013
where: short stacking energy: -367.758
Base-Backbone interact. energy: -0.030
local terms energy: -403.181613
where:
bonds (distance) C4'-P energy: -83.027
bonds (distance) P-C4' energy: -75.005
flat angles C4'-P-C4' energy: -84.177
flat angles P-C4'-P energy: -47.955
tors. eta vs tors. theta energy: -113.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 540
Temperature: 1.050000
Total energy: -1203.788726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.788726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.788726 (E_RNA)
where:
Base-Base interactions energy: -808.680
where: short stacking energy: -379.370
Base-Backbone interact. energy: -1.432
local terms energy: -393.676432
where:
bonds (distance) C4'-P energy: -63.389
bonds (distance) P-C4' energy: -73.745
flat angles C4'-P-C4' energy: -89.641
flat angles P-C4'-P energy: -58.075
tors. eta vs tors. theta energy: -108.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 540
Temperature: 1.100000
Total energy: -1134.424168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.424168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.424168 (E_RNA)
where:
Base-Base interactions energy: -777.223
where: short stacking energy: -310.734
Base-Backbone interact. energy: -1.572
local terms energy: -355.628907
where:
bonds (distance) C4'-P energy: -72.977
bonds (distance) P-C4' energy: -74.752
flat angles C4'-P-C4' energy: -69.398
flat angles P-C4'-P energy: -52.692
tors. eta vs tors. theta energy: -85.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 540
Temperature: 1.150000
Total energy: -996.421809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.421809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.421809 (E_RNA)
where:
Base-Base interactions energy: -655.434
where: short stacking energy: -280.710
Base-Backbone interact. energy: -0.307
local terms energy: -340.680275
where:
bonds (distance) C4'-P energy: -67.530
bonds (distance) P-C4' energy: -65.496
flat angles C4'-P-C4' energy: -81.048
flat angles P-C4'-P energy: -43.980
tors. eta vs tors. theta energy: -82.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 540
Temperature: 1.200000
Total energy: -952.415430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.415430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.415430 (E_RNA)
where:
Base-Base interactions energy: -599.739
where: short stacking energy: -263.143
Base-Backbone interact. energy: -0.187
local terms energy: -352.490246
where:
bonds (distance) C4'-P energy: -62.349
bonds (distance) P-C4' energy: -76.826
flat angles C4'-P-C4' energy: -74.537
flat angles P-C4'-P energy: -60.617
tors. eta vs tors. theta energy: -78.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 540
Temperature: 1.250000
Total energy: -501.987824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.987824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.987824 (E_RNA)
where:
Base-Base interactions energy: -235.704
where: short stacking energy: -112.650
Base-Backbone interact. energy: -3.110
local terms energy: -263.173514
where:
bonds (distance) C4'-P energy: -65.378
bonds (distance) P-C4' energy: -77.122
flat angles C4'-P-C4' energy: -60.933
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 540
Temperature: 1.300000
Total energy: -498.550730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.550730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.550730 (E_RNA)
where:
Base-Base interactions energy: -245.455
where: short stacking energy: -126.627
Base-Backbone interact. energy: 2.315
local terms energy: -255.410303
where:
bonds (distance) C4'-P energy: -67.984
bonds (distance) P-C4' energy: -78.267
flat angles C4'-P-C4' energy: -55.857
flat angles P-C4'-P energy: -44.706
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 540
Temperature: 1.350000
Total energy: -357.862297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.862297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.862297 (E_RNA)
where:
Base-Base interactions energy: -146.207
where: short stacking energy: -93.027
Base-Backbone interact. energy: 2.806
local terms energy: -214.461286
where:
bonds (distance) C4'-P energy: -59.139
bonds (distance) P-C4' energy: -73.869
flat angles C4'-P-C4' energy: -63.661
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: 5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 541
Temperature: 0.900000
Total energy: -1405.191127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.191127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.191127 (E_RNA)
where:
Base-Base interactions energy: -958.344
where: short stacking energy: -403.715
Base-Backbone interact. energy: -1.667
local terms energy: -445.180527
where:
bonds (distance) C4'-P energy: -83.892
bonds (distance) P-C4' energy: -75.066
flat angles C4'-P-C4' energy: -88.733
flat angles P-C4'-P energy: -66.150
tors. eta vs tors. theta energy: -131.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 541
Temperature: 0.950000
Total energy: -1375.874659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.874659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.874659 (E_RNA)
where:
Base-Base interactions energy: -942.931
where: short stacking energy: -421.970
Base-Backbone interact. energy: -0.426
local terms energy: -432.518187
where:
bonds (distance) C4'-P energy: -71.993
bonds (distance) P-C4' energy: -77.138
flat angles C4'-P-C4' energy: -95.402
flat angles P-C4'-P energy: -64.276
tors. eta vs tors. theta energy: -123.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 541
Temperature: 1.000000
Total energy: -1298.647050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.647050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.647050 (E_RNA)
where:
Base-Base interactions energy: -901.366
where: short stacking energy: -371.005
Base-Backbone interact. energy: 1.227
local terms energy: -398.508092
where:
bonds (distance) C4'-P energy: -68.198
bonds (distance) P-C4' energy: -74.508
flat angles C4'-P-C4' energy: -87.953
flat angles P-C4'-P energy: -59.817
tors. eta vs tors. theta energy: -108.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 541
Temperature: 1.050000
Total energy: -1158.072454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.072454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.072454 (E_RNA)
where:
Base-Base interactions energy: -758.847
where: short stacking energy: -361.005
Base-Backbone interact. energy: -2.329
local terms energy: -396.896531
where:
bonds (distance) C4'-P energy: -70.847
bonds (distance) P-C4' energy: -66.501
flat angles C4'-P-C4' energy: -86.678
flat angles P-C4'-P energy: -56.090
tors. eta vs tors. theta energy: -116.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 541
Temperature: 1.100000
Total energy: -1137.483083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.483083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.483083 (E_RNA)
where:
Base-Base interactions energy: -770.085
where: short stacking energy: -307.702
Base-Backbone interact. energy: -1.261
local terms energy: -366.136953
where:
bonds (distance) C4'-P energy: -80.932
bonds (distance) P-C4' energy: -73.929
flat angles C4'-P-C4' energy: -67.442
flat angles P-C4'-P energy: -58.272
tors. eta vs tors. theta energy: -85.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 541
Temperature: 1.150000
Total energy: -1016.315780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.315780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.315780 (E_RNA)
where:
Base-Base interactions energy: -659.891
where: short stacking energy: -292.469
Base-Backbone interact. energy: 1.312
local terms energy: -357.736310
where:
bonds (distance) C4'-P energy: -58.326
bonds (distance) P-C4' energy: -81.029
flat angles C4'-P-C4' energy: -78.616
flat angles P-C4'-P energy: -52.058
tors. eta vs tors. theta energy: -87.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 541
Temperature: 1.200000
Total energy: -968.689844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.689844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.689844 (E_RNA)
where:
Base-Base interactions energy: -643.597
where: short stacking energy: -273.644
Base-Backbone interact. energy: 0.535
local terms energy: -325.627286
where:
bonds (distance) C4'-P energy: -67.301
bonds (distance) P-C4' energy: -72.864
flat angles C4'-P-C4' energy: -78.538
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: -66.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 541
Temperature: 1.250000
Total energy: -555.145728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.145728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.145728 (E_RNA)
where:
Base-Base interactions energy: -315.088
where: short stacking energy: -156.205
Base-Backbone interact. energy: -1.543
local terms energy: -238.514700
where:
bonds (distance) C4'-P energy: -58.822
bonds (distance) P-C4' energy: -67.524
flat angles C4'-P-C4' energy: -53.394
flat angles P-C4'-P energy: -49.094
tors. eta vs tors. theta energy: -9.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 541
Temperature: 1.300000
Total energy: -455.634345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.634345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.634345 (E_RNA)
where:
Base-Base interactions energy: -207.413
where: short stacking energy: -128.406
Base-Backbone interact. energy: -3.234
local terms energy: -244.988057
where:
bonds (distance) C4'-P energy: -73.835
bonds (distance) P-C4' energy: -72.906
flat angles C4'-P-C4' energy: -66.124
flat angles P-C4'-P energy: -43.291
tors. eta vs tors. theta energy: 11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 541
Temperature: 1.350000
Total energy: -336.960743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.960743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.960743 (E_RNA)
where:
Base-Base interactions energy: -149.113
where: short stacking energy: -99.621
Base-Backbone interact. energy: 1.268
local terms energy: -189.116580
where:
bonds (distance) C4'-P energy: -65.483
bonds (distance) P-C4' energy: -56.321
flat angles C4'-P-C4' energy: -46.498
flat angles P-C4'-P energy: -34.937
tors. eta vs tors. theta energy: 14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 542
Temperature: 0.900000
Total energy: -1382.191256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.191256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.191256 (E_RNA)
where:
Base-Base interactions energy: -950.708
where: short stacking energy: -392.367
Base-Backbone interact. energy: 0.308
local terms energy: -431.790986
where:
bonds (distance) C4'-P energy: -81.167
bonds (distance) P-C4' energy: -84.217
flat angles C4'-P-C4' energy: -87.237
flat angles P-C4'-P energy: -61.048
tors. eta vs tors. theta energy: -118.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 542
Temperature: 0.950000
Total energy: -1386.042740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.042740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.042740 (E_RNA)
where:
Base-Base interactions energy: -946.946
where: short stacking energy: -391.859
Base-Backbone interact. energy: -0.958
local terms energy: -438.137957
where:
bonds (distance) C4'-P energy: -78.377
bonds (distance) P-C4' energy: -82.492
flat angles C4'-P-C4' energy: -94.624
flat angles P-C4'-P energy: -57.339
tors. eta vs tors. theta energy: -125.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 542
Temperature: 1.000000
Total energy: -1324.823632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.823632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.823632 (E_RNA)
where:
Base-Base interactions energy: -906.909
where: short stacking energy: -373.027
Base-Backbone interact. energy: -2.733
local terms energy: -415.181866
where:
bonds (distance) C4'-P energy: -78.586
bonds (distance) P-C4' energy: -75.978
flat angles C4'-P-C4' energy: -92.068
flat angles P-C4'-P energy: -50.445
tors. eta vs tors. theta energy: -118.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 542
Temperature: 1.050000
Total energy: -1157.328427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.328427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.328427 (E_RNA)
where:
Base-Base interactions energy: -758.145
where: short stacking energy: -325.237
Base-Backbone interact. energy: 0.461
local terms energy: -399.644589
where:
bonds (distance) C4'-P energy: -78.832
bonds (distance) P-C4' energy: -85.324
flat angles C4'-P-C4' energy: -89.241
flat angles P-C4'-P energy: -49.926
tors. eta vs tors. theta energy: -96.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 542
Temperature: 1.100000
Total energy: -1137.182996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.182996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.182996 (E_RNA)
where:
Base-Base interactions energy: -773.292
where: short stacking energy: -308.953
Base-Backbone interact. energy: 0.266
local terms energy: -364.156596
where:
bonds (distance) C4'-P energy: -67.915
bonds (distance) P-C4' energy: -80.483
flat angles C4'-P-C4' energy: -80.547
flat angles P-C4'-P energy: -54.888
tors. eta vs tors. theta energy: -80.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 542
Temperature: 1.150000
Total energy: -990.151265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.151265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.151265 (E_RNA)
where:
Base-Base interactions energy: -626.584
where: short stacking energy: -271.306
Base-Backbone interact. energy: 2.580
local terms energy: -366.147056
where:
bonds (distance) C4'-P energy: -73.516
bonds (distance) P-C4' energy: -80.088
flat angles C4'-P-C4' energy: -72.934
flat angles P-C4'-P energy: -53.145
tors. eta vs tors. theta energy: -86.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 542
Temperature: 1.200000
Total energy: -948.949657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.949657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.949657 (E_RNA)
where:
Base-Base interactions energy: -631.956
where: short stacking energy: -288.571
Base-Backbone interact. energy: 0.463
local terms energy: -317.456558
where:
bonds (distance) C4'-P energy: -60.226
bonds (distance) P-C4' energy: -69.782
flat angles C4'-P-C4' energy: -61.421
flat angles P-C4'-P energy: -57.956
tors. eta vs tors. theta energy: -68.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 542
Temperature: 1.250000
Total energy: -535.715829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.715829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.715829 (E_RNA)
where:
Base-Base interactions energy: -300.458
where: short stacking energy: -140.041
Base-Backbone interact. energy: 9.012
local terms energy: -244.269387
where:
bonds (distance) C4'-P energy: -73.136
bonds (distance) P-C4' energy: -70.480
flat angles C4'-P-C4' energy: -56.817
flat angles P-C4'-P energy: -39.985
tors. eta vs tors. theta energy: -3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 542
Temperature: 1.300000
Total energy: -341.805626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.805626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.805626 (E_RNA)
where:
Base-Base interactions energy: -118.808
where: short stacking energy: -92.757
Base-Backbone interact. energy: -0.437
local terms energy: -222.560263
where:
bonds (distance) C4'-P energy: -70.149
bonds (distance) P-C4' energy: -65.574
flat angles C4'-P-C4' energy: -57.923
flat angles P-C4'-P energy: -39.831
tors. eta vs tors. theta energy: 10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 542
Temperature: 1.350000
Total energy: -411.907341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.907341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.907341 (E_RNA)
where:
Base-Base interactions energy: -187.888
where: short stacking energy: -111.088
Base-Backbone interact. energy: -1.683
local terms energy: -222.336868
where:
bonds (distance) C4'-P energy: -65.293
bonds (distance) P-C4' energy: -74.023
flat angles C4'-P-C4' energy: -61.827
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 543
Temperature: 0.900000
Total energy: -1388.185334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.185334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.185334 (E_RNA)
where:
Base-Base interactions energy: -951.129
where: short stacking energy: -394.216
Base-Backbone interact. energy: -1.755
local terms energy: -435.301035
where:
bonds (distance) C4'-P energy: -84.096
bonds (distance) P-C4' energy: -82.567
flat angles C4'-P-C4' energy: -89.420
flat angles P-C4'-P energy: -60.690
tors. eta vs tors. theta energy: -118.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 543
Temperature: 0.950000
Total energy: -1374.881741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.881741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.881741 (E_RNA)
where:
Base-Base interactions energy: -941.022
where: short stacking energy: -395.149
Base-Backbone interact. energy: -0.626
local terms energy: -433.233141
where:
bonds (distance) C4'-P energy: -78.119
bonds (distance) P-C4' energy: -78.120
flat angles C4'-P-C4' energy: -91.228
flat angles P-C4'-P energy: -59.835
tors. eta vs tors. theta energy: -125.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 543
Temperature: 1.000000
Total energy: -1328.956389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.956389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.956389 (E_RNA)
where:
Base-Base interactions energy: -903.701
where: short stacking energy: -373.846
Base-Backbone interact. energy: -3.437
local terms energy: -421.818453
where:
bonds (distance) C4'-P energy: -86.473
bonds (distance) P-C4' energy: -78.078
flat angles C4'-P-C4' energy: -83.099
flat angles P-C4'-P energy: -59.498
tors. eta vs tors. theta energy: -114.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 543
Temperature: 1.050000
Total energy: -1208.072497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.072497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.072497 (E_RNA)
where:
Base-Base interactions energy: -822.485
where: short stacking energy: -353.249
Base-Backbone interact. energy: 1.569
local terms energy: -387.156433
where:
bonds (distance) C4'-P energy: -72.316
bonds (distance) P-C4' energy: -70.518
flat angles C4'-P-C4' energy: -84.628
flat angles P-C4'-P energy: -44.846
tors. eta vs tors. theta energy: -114.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 543
Temperature: 1.100000
Total energy: -1174.170828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.170828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.170828 (E_RNA)
where:
Base-Base interactions energy: -796.168
where: short stacking energy: -302.889
Base-Backbone interact. energy: -0.010
local terms energy: -377.992141
where:
bonds (distance) C4'-P energy: -76.260
bonds (distance) P-C4' energy: -71.087
flat angles C4'-P-C4' energy: -89.898
flat angles P-C4'-P energy: -58.075
tors. eta vs tors. theta energy: -82.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 543
Temperature: 1.150000
Total energy: -992.681148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.681148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.681148 (E_RNA)
where:
Base-Base interactions energy: -655.084
where: short stacking energy: -303.425
Base-Backbone interact. energy: 0.332
local terms energy: -337.929102
where:
bonds (distance) C4'-P energy: -70.061
bonds (distance) P-C4' energy: -73.985
flat angles C4'-P-C4' energy: -65.729
flat angles P-C4'-P energy: -43.943
tors. eta vs tors. theta energy: -84.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 543
Temperature: 1.200000
Total energy: -883.179599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.179599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.179599 (E_RNA)
where:
Base-Base interactions energy: -567.939
where: short stacking energy: -232.435
Base-Backbone interact. energy: -2.571
local terms energy: -312.670493
where:
bonds (distance) C4'-P energy: -63.981
bonds (distance) P-C4' energy: -65.512
flat angles C4'-P-C4' energy: -77.527
flat angles P-C4'-P energy: -53.306
tors. eta vs tors. theta energy: -52.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 543
Temperature: 1.250000
Total energy: -578.307137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.307137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.307137 (E_RNA)
where:
Base-Base interactions energy: -334.318
where: short stacking energy: -162.221
Base-Backbone interact. energy: -1.724
local terms energy: -242.265540
where:
bonds (distance) C4'-P energy: -61.507
bonds (distance) P-C4' energy: -70.834
flat angles C4'-P-C4' energy: -62.136
flat angles P-C4'-P energy: -31.014
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 543
Temperature: 1.300000
Total energy: -342.884892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.884892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.884892 (E_RNA)
where:
Base-Base interactions energy: -123.159
where: short stacking energy: -93.068
Base-Backbone interact. energy: -1.531
local terms energy: -218.194866
where:
bonds (distance) C4'-P energy: -55.627
bonds (distance) P-C4' energy: -69.520
flat angles C4'-P-C4' energy: -62.321
flat angles P-C4'-P energy: -42.160
tors. eta vs tors. theta energy: 11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 543
Temperature: 1.350000
Total energy: -379.265905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.265905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.265905 (E_RNA)
where:
Base-Base interactions energy: -150.149
where: short stacking energy: -97.139
Base-Backbone interact. energy: -2.146
local terms energy: -226.970811
where:
bonds (distance) C4'-P energy: -52.484
bonds (distance) P-C4' energy: -72.746
flat angles C4'-P-C4' energy: -68.656
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: 5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
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DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 544
Temperature: 0.900000
Total energy: -1389.810049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.810049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.810049 (E_RNA)
where:
Base-Base interactions energy: -949.048
where: short stacking energy: -382.449
Base-Backbone interact. energy: -1.793
local terms energy: -438.968581
where:
bonds (distance) C4'-P energy: -79.006
bonds (distance) P-C4' energy: -82.206
flat angles C4'-P-C4' energy: -91.586
flat angles P-C4'-P energy: -65.202
tors. eta vs tors. theta energy: -120.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 544
Temperature: 0.950000
Total energy: -1358.781676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.781676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.781676 (E_RNA)
where:
Base-Base interactions energy: -931.937
where: short stacking energy: -382.655
Base-Backbone interact. energy: -1.253
local terms energy: -425.591340
where:
bonds (distance) C4'-P energy: -92.715
bonds (distance) P-C4' energy: -82.487
flat angles C4'-P-C4' energy: -81.434
flat angles P-C4'-P energy: -49.623
tors. eta vs tors. theta energy: -119.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 544
Temperature: 1.000000
Total energy: -1304.741806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.741806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.741806 (E_RNA)
where:
Base-Base interactions energy: -893.317
where: short stacking energy: -357.420
Base-Backbone interact. energy: -3.530
local terms energy: -407.894130
where:
bonds (distance) C4'-P energy: -73.689
bonds (distance) P-C4' energy: -82.949
flat angles C4'-P-C4' energy: -84.530
flat angles P-C4'-P energy: -55.561
tors. eta vs tors. theta energy: -111.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 544
Temperature: 1.050000
Total energy: -1161.065891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.065891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.065891 (E_RNA)
where:
Base-Base interactions energy: -772.766
where: short stacking energy: -340.331
Base-Backbone interact. energy: -0.278
local terms energy: -388.022125
where:
bonds (distance) C4'-P energy: -72.418
bonds (distance) P-C4' energy: -75.481
flat angles C4'-P-C4' energy: -87.487
flat angles P-C4'-P energy: -54.788
tors. eta vs tors. theta energy: -97.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 544
Temperature: 1.100000
Total energy: -1150.351827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.351827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.351827 (E_RNA)
where:
Base-Base interactions energy: -797.366
where: short stacking energy: -317.401
Base-Backbone interact. energy: -1.855
local terms energy: -351.130785
where:
bonds (distance) C4'-P energy: -77.427
bonds (distance) P-C4' energy: -68.619
flat angles C4'-P-C4' energy: -80.003
flat angles P-C4'-P energy: -39.005
tors. eta vs tors. theta energy: -86.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 544
Temperature: 1.150000
Total energy: -1068.103569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.103569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.103569 (E_RNA)
where:
Base-Base interactions energy: -710.866
where: short stacking energy: -316.448
Base-Backbone interact. energy: -1.678
local terms energy: -355.560513
where:
bonds (distance) C4'-P energy: -59.168
bonds (distance) P-C4' energy: -70.433
flat angles C4'-P-C4' energy: -84.258
flat angles P-C4'-P energy: -51.986
tors. eta vs tors. theta energy: -89.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 544
Temperature: 1.200000
Total energy: -946.572326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.572326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.572326 (E_RNA)
where:
Base-Base interactions energy: -630.178
where: short stacking energy: -266.433
Base-Backbone interact. energy: 1.948
local terms energy: -318.342353
where:
bonds (distance) C4'-P energy: -63.464
bonds (distance) P-C4' energy: -65.585
flat angles C4'-P-C4' energy: -74.755
flat angles P-C4'-P energy: -35.220
tors. eta vs tors. theta energy: -79.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 544
Temperature: 1.250000
Total energy: -568.209535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.209535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.209535 (E_RNA)
where:
Base-Base interactions energy: -327.732
where: short stacking energy: -172.669
Base-Backbone interact. energy: 1.127
local terms energy: -241.605082
where:
bonds (distance) C4'-P energy: -67.496
bonds (distance) P-C4' energy: -58.551
flat angles C4'-P-C4' energy: -56.827
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -30.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 544
Temperature: 1.300000
Total energy: -393.375382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.375382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.375382 (E_RNA)
where:
Base-Base interactions energy: -200.020
where: short stacking energy: -96.141
Base-Backbone interact. energy: -0.839
local terms energy: -192.516180
where:
bonds (distance) C4'-P energy: -54.155
bonds (distance) P-C4' energy: -67.323
flat angles C4'-P-C4' energy: -61.524
flat angles P-C4'-P energy: -28.715
tors. eta vs tors. theta energy: 19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 544
Temperature: 1.350000
Total energy: -307.565930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.565930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.565930 (E_RNA)
where:
Base-Base interactions energy: -101.587
where: short stacking energy: -89.662
Base-Backbone interact. energy: -0.748
local terms energy: -205.230990
where:
bonds (distance) C4'-P energy: -74.454
bonds (distance) P-C4' energy: -65.003
flat angles C4'-P-C4' energy: -43.467
flat angles P-C4'-P energy: -36.152
tors. eta vs tors. theta energy: 13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 545
Temperature: 0.900000
Total energy: -1401.777841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.777841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.777841 (E_RNA)
where:
Base-Base interactions energy: -972.808
where: short stacking energy: -409.567
Base-Backbone interact. energy: 1.378
local terms energy: -430.347600
where:
bonds (distance) C4'-P energy: -86.063
bonds (distance) P-C4' energy: -71.792
flat angles C4'-P-C4' energy: -86.797
flat angles P-C4'-P energy: -60.790
tors. eta vs tors. theta energy: -124.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 545
Temperature: 0.950000
Total energy: -1353.939138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.939138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.939138 (E_RNA)
where:
Base-Base interactions energy: -931.017
where: short stacking energy: -370.630
Base-Backbone interact. energy: 1.118
local terms energy: -424.039780
where:
bonds (distance) C4'-P energy: -73.159
bonds (distance) P-C4' energy: -83.738
flat angles C4'-P-C4' energy: -87.517
flat angles P-C4'-P energy: -62.268
tors. eta vs tors. theta energy: -117.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 545
Temperature: 1.000000
Total energy: -1294.929826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.929826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.929826 (E_RNA)
where:
Base-Base interactions energy: -891.569
where: short stacking energy: -357.558
Base-Backbone interact. energy: -2.526
local terms energy: -400.834857
where:
bonds (distance) C4'-P energy: -69.666
bonds (distance) P-C4' energy: -81.614
flat angles C4'-P-C4' energy: -81.730
flat angles P-C4'-P energy: -53.454
tors. eta vs tors. theta energy: -114.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 545
Temperature: 1.050000
Total energy: -1172.770548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.770548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.770548 (E_RNA)
where:
Base-Base interactions energy: -788.728
where: short stacking energy: -345.710
Base-Backbone interact. energy: -2.623
local terms energy: -381.419428
where:
bonds (distance) C4'-P energy: -74.400
bonds (distance) P-C4' energy: -66.129
flat angles C4'-P-C4' energy: -82.887
flat angles P-C4'-P energy: -55.166
tors. eta vs tors. theta energy: -102.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 545
Temperature: 1.100000
Total energy: -1169.410329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.410329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.410329 (E_RNA)
where:
Base-Base interactions energy: -788.457
where: short stacking energy: -322.635
Base-Backbone interact. energy: 4.725
local terms energy: -385.677469
where:
bonds (distance) C4'-P energy: -80.644
bonds (distance) P-C4' energy: -74.484
flat angles C4'-P-C4' energy: -74.100
flat angles P-C4'-P energy: -61.747
tors. eta vs tors. theta energy: -94.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 545
Temperature: 1.150000
Total energy: -1085.134835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.134835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.134835 (E_RNA)
where:
Base-Base interactions energy: -710.682
where: short stacking energy: -299.361
Base-Backbone interact. energy: -1.623
local terms energy: -372.830400
where:
bonds (distance) C4'-P energy: -71.161
bonds (distance) P-C4' energy: -68.313
flat angles C4'-P-C4' energy: -82.862
flat angles P-C4'-P energy: -56.504
tors. eta vs tors. theta energy: -93.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 545
Temperature: 1.200000
Total energy: -960.658490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.658490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.658490 (E_RNA)
where:
Base-Base interactions energy: -653.363
where: short stacking energy: -258.480
Base-Backbone interact. energy: 3.605
local terms energy: -310.899777
where:
bonds (distance) C4'-P energy: -66.234
bonds (distance) P-C4' energy: -65.648
flat angles C4'-P-C4' energy: -80.906
flat angles P-C4'-P energy: -34.605
tors. eta vs tors. theta energy: -63.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 545
Temperature: 1.250000
Total energy: -560.019518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.019518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.019518 (E_RNA)
where:
Base-Base interactions energy: -295.945
where: short stacking energy: -146.901
Base-Backbone interact. energy: -1.939
local terms energy: -262.136022
where:
bonds (distance) C4'-P energy: -69.674
bonds (distance) P-C4' energy: -75.403
flat angles C4'-P-C4' energy: -59.762
flat angles P-C4'-P energy: -38.168
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 545
Temperature: 1.300000
Total energy: -472.240142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.240142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.240142 (E_RNA)
where:
Base-Base interactions energy: -232.827
where: short stacking energy: -131.452
Base-Backbone interact. energy: -1.004
local terms energy: -238.408837
where:
bonds (distance) C4'-P energy: -51.965
bonds (distance) P-C4' energy: -62.049
flat angles C4'-P-C4' energy: -68.025
flat angles P-C4'-P energy: -33.226
tors. eta vs tors. theta energy: -23.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 545
Temperature: 1.350000
Total energy: -320.048024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.048024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.048024 (E_RNA)
where:
Base-Base interactions energy: -109.162
where: short stacking energy: -86.911
Base-Backbone interact. energy: -1.467
local terms energy: -209.418204
where:
bonds (distance) C4'-P energy: -63.736
bonds (distance) P-C4' energy: -79.854
flat angles C4'-P-C4' energy: -54.760
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: 11.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 546
Temperature: 0.900000
Total energy: -1395.932320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.932320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.932320 (E_RNA)
where:
Base-Base interactions energy: -950.307
where: short stacking energy: -384.196
Base-Backbone interact. energy: 0.027
local terms energy: -445.652269
where:
bonds (distance) C4'-P energy: -87.254
bonds (distance) P-C4' energy: -84.997
flat angles C4'-P-C4' energy: -87.765
flat angles P-C4'-P energy: -61.822
tors. eta vs tors. theta energy: -123.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 546
Temperature: 0.950000
Total energy: -1336.061542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.061542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.061542 (E_RNA)
where:
Base-Base interactions energy: -930.896
where: short stacking energy: -376.702
Base-Backbone interact. energy: 3.266
local terms energy: -408.431469
where:
bonds (distance) C4'-P energy: -67.344
bonds (distance) P-C4' energy: -82.184
flat angles C4'-P-C4' energy: -91.223
flat angles P-C4'-P energy: -51.383
tors. eta vs tors. theta energy: -116.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 546
Temperature: 1.000000
Total energy: -1309.350638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.350638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.350638 (E_RNA)
where:
Base-Base interactions energy: -902.732
where: short stacking energy: -375.544
Base-Backbone interact. energy: -0.104
local terms energy: -406.513805
where:
bonds (distance) C4'-P energy: -80.002
bonds (distance) P-C4' energy: -62.025
flat angles C4'-P-C4' energy: -95.598
flat angles P-C4'-P energy: -57.498
tors. eta vs tors. theta energy: -111.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 546
Temperature: 1.050000
Total energy: -1191.206940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.206940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.206940 (E_RNA)
where:
Base-Base interactions energy: -805.048
where: short stacking energy: -334.138
Base-Backbone interact. energy: -3.016
local terms energy: -383.142953
where:
bonds (distance) C4'-P energy: -62.644
bonds (distance) P-C4' energy: -67.670
flat angles C4'-P-C4' energy: -86.956
flat angles P-C4'-P energy: -56.106
tors. eta vs tors. theta energy: -109.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 546
Temperature: 1.100000
Total energy: -1169.878889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.878889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.878889 (E_RNA)
where:
Base-Base interactions energy: -811.442
where: short stacking energy: -313.094
Base-Backbone interact. energy: -1.914
local terms energy: -356.522917
where:
bonds (distance) C4'-P energy: -72.920
bonds (distance) P-C4' energy: -71.800
flat angles C4'-P-C4' energy: -76.630
flat angles P-C4'-P energy: -49.745
tors. eta vs tors. theta energy: -85.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 546
Temperature: 1.150000
Total energy: -1043.288664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.288664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.288664 (E_RNA)
where:
Base-Base interactions energy: -682.016
where: short stacking energy: -286.520
Base-Backbone interact. energy: -0.449
local terms energy: -360.823118
where:
bonds (distance) C4'-P energy: -66.996
bonds (distance) P-C4' energy: -72.846
flat angles C4'-P-C4' energy: -84.530
flat angles P-C4'-P energy: -44.687
tors. eta vs tors. theta energy: -91.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 546
Temperature: 1.200000
Total energy: -995.349039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.349039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.349039 (E_RNA)
where:
Base-Base interactions energy: -661.317
where: short stacking energy: -291.232
Base-Backbone interact. energy: 2.178
local terms energy: -336.210551
where:
bonds (distance) C4'-P energy: -44.851
bonds (distance) P-C4' energy: -80.642
flat angles C4'-P-C4' energy: -67.194
flat angles P-C4'-P energy: -52.667
tors. eta vs tors. theta energy: -90.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 546
Temperature: 1.250000
Total energy: -587.606190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.606190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.606190 (E_RNA)
where:
Base-Base interactions energy: -326.985
where: short stacking energy: -150.795
Base-Backbone interact. energy: 0.463
local terms energy: -261.084208
where:
bonds (distance) C4'-P energy: -66.326
bonds (distance) P-C4' energy: -66.424
flat angles C4'-P-C4' energy: -68.713
flat angles P-C4'-P energy: -45.659
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 546
Temperature: 1.300000
Total energy: -464.867729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.867729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.867729 (E_RNA)
where:
Base-Base interactions energy: -250.052
where: short stacking energy: -143.101
Base-Backbone interact. energy: -0.795
local terms energy: -214.020385
where:
bonds (distance) C4'-P energy: -71.741
bonds (distance) P-C4' energy: -52.487
flat angles C4'-P-C4' energy: -52.224
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 546
Temperature: 1.350000
Total energy: -317.070910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.070910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.070910 (E_RNA)
where:
Base-Base interactions energy: -96.043
where: short stacking energy: -79.197
Base-Backbone interact. energy: 0.925
local terms energy: -221.953111
where:
bonds (distance) C4'-P energy: -49.581
bonds (distance) P-C4' energy: -67.615
flat angles C4'-P-C4' energy: -70.434
flat angles P-C4'-P energy: -34.476
tors. eta vs tors. theta energy: 0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 547
Temperature: 0.900000
Total energy: -1412.589357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.589357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.589357 (E_RNA)
where:
Base-Base interactions energy: -970.033
where: short stacking energy: -413.028
Base-Backbone interact. energy: -0.782
local terms energy: -441.773901
where:
bonds (distance) C4'-P energy: -76.962
bonds (distance) P-C4' energy: -87.760
flat angles C4'-P-C4' energy: -90.443
flat angles P-C4'-P energy: -62.885
tors. eta vs tors. theta energy: -123.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 547
Temperature: 0.950000
Total energy: -1314.960566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.960566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.960566 (E_RNA)
where:
Base-Base interactions energy: -900.596
where: short stacking energy: -361.768
Base-Backbone interact. energy: -2.002
local terms energy: -412.363267
where:
bonds (distance) C4'-P energy: -78.176
bonds (distance) P-C4' energy: -71.877
flat angles C4'-P-C4' energy: -90.778
flat angles P-C4'-P energy: -60.811
tors. eta vs tors. theta energy: -110.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 547
Temperature: 1.000000
Total energy: -1329.697425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.697425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.697425 (E_RNA)
where:
Base-Base interactions energy: -895.036
where: short stacking energy: -374.083
Base-Backbone interact. energy: -5.546
local terms energy: -429.115444
where:
bonds (distance) C4'-P energy: -77.299
bonds (distance) P-C4' energy: -70.972
flat angles C4'-P-C4' energy: -90.261
flat angles P-C4'-P energy: -68.819
tors. eta vs tors. theta energy: -121.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 547
Temperature: 1.050000
Total energy: -1210.775350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.775350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.775350 (E_RNA)
where:
Base-Base interactions energy: -820.989
where: short stacking energy: -375.728
Base-Backbone interact. energy: 0.935
local terms energy: -390.721790
where:
bonds (distance) C4'-P energy: -74.687
bonds (distance) P-C4' energy: -74.023
flat angles C4'-P-C4' energy: -80.534
flat angles P-C4'-P energy: -50.021
tors. eta vs tors. theta energy: -111.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 547
Temperature: 1.100000
Total energy: -1187.091651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.091651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.091651 (E_RNA)
where:
Base-Base interactions energy: -810.428
where: short stacking energy: -340.168
Base-Backbone interact. energy: 0.357
local terms energy: -377.020823
where:
bonds (distance) C4'-P energy: -70.928
bonds (distance) P-C4' energy: -66.862
flat angles C4'-P-C4' energy: -85.536
flat angles P-C4'-P energy: -57.144
tors. eta vs tors. theta energy: -96.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 547
Temperature: 1.150000
Total energy: -1023.253418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.253418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.253418 (E_RNA)
where:
Base-Base interactions energy: -676.106
where: short stacking energy: -292.625
Base-Backbone interact. energy: -0.901
local terms energy: -346.246398
where:
bonds (distance) C4'-P energy: -71.386
bonds (distance) P-C4' energy: -65.138
flat angles C4'-P-C4' energy: -82.417
flat angles P-C4'-P energy: -49.410
tors. eta vs tors. theta energy: -77.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 547
Temperature: 1.200000
Total energy: -970.948211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.948211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.948211 (E_RNA)
where:
Base-Base interactions energy: -629.295
where: short stacking energy: -276.913
Base-Backbone interact. energy: 0.813
local terms energy: -342.466640
where:
bonds (distance) C4'-P energy: -80.324
bonds (distance) P-C4' energy: -70.371
flat angles C4'-P-C4' energy: -70.950
flat angles P-C4'-P energy: -52.326
tors. eta vs tors. theta energy: -68.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 547
Temperature: 1.250000
Total energy: -603.887511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.887511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.887511 (E_RNA)
where:
Base-Base interactions energy: -329.637
where: short stacking energy: -170.321
Base-Backbone interact. energy: -1.187
local terms energy: -273.064106
where:
bonds (distance) C4'-P energy: -61.131
bonds (distance) P-C4' energy: -70.509
flat angles C4'-P-C4' energy: -74.111
flat angles P-C4'-P energy: -46.643
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 547
Temperature: 1.300000
Total energy: -403.522576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.522576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.522576 (E_RNA)
where:
Base-Base interactions energy: -186.181
where: short stacking energy: -110.635
Base-Backbone interact. energy: -1.122
local terms energy: -216.218912
where:
bonds (distance) C4'-P energy: -68.887
bonds (distance) P-C4' energy: -64.850
flat angles C4'-P-C4' energy: -63.537
flat angles P-C4'-P energy: -34.884
tors. eta vs tors. theta energy: 15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 547
Temperature: 1.350000
Total energy: -310.076470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.076470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.076470 (E_RNA)
where:
Base-Base interactions energy: -113.426
where: short stacking energy: -95.655
Base-Backbone interact. energy: 3.158
local terms energy: -199.809042
where:
bonds (distance) C4'-P energy: -69.913
bonds (distance) P-C4' energy: -63.898
flat angles C4'-P-C4' energy: -54.334
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: 4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 548
Temperature: 0.900000
Total energy: -1399.066396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.066396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.066396 (E_RNA)
where:
Base-Base interactions energy: -956.441
where: short stacking energy: -398.667
Base-Backbone interact. energy: -2.492
local terms energy: -440.133535
where:
bonds (distance) C4'-P energy: -71.424
bonds (distance) P-C4' energy: -85.481
flat angles C4'-P-C4' energy: -93.577
flat angles P-C4'-P energy: -66.170
tors. eta vs tors. theta energy: -123.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 548
Temperature: 0.950000
Total energy: -1313.911936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.911936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.911936 (E_RNA)
where:
Base-Base interactions energy: -917.663
where: short stacking energy: -364.708
Base-Backbone interact. energy: -1.605
local terms energy: -394.644101
where:
bonds (distance) C4'-P energy: -72.180
bonds (distance) P-C4' energy: -74.643
flat angles C4'-P-C4' energy: -95.167
flat angles P-C4'-P energy: -44.893
tors. eta vs tors. theta energy: -107.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 548
Temperature: 1.000000
Total energy: -1329.214577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.214577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.214577 (E_RNA)
where:
Base-Base interactions energy: -942.907
where: short stacking energy: -390.358
Base-Backbone interact. energy: -0.456
local terms energy: -385.851457
where:
bonds (distance) C4'-P energy: -64.719
bonds (distance) P-C4' energy: -73.825
flat angles C4'-P-C4' energy: -86.843
flat angles P-C4'-P energy: -49.165
tors. eta vs tors. theta energy: -111.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 548
Temperature: 1.050000
Total energy: -1184.929628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.929628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.929628 (E_RNA)
where:
Base-Base interactions energy: -802.824
where: short stacking energy: -337.256
Base-Backbone interact. energy: -0.645
local terms energy: -381.460118
where:
bonds (distance) C4'-P energy: -80.822
bonds (distance) P-C4' energy: -63.297
flat angles C4'-P-C4' energy: -82.403
flat angles P-C4'-P energy: -57.266
tors. eta vs tors. theta energy: -97.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 548
Temperature: 1.100000
Total energy: -1136.381931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.381931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.381931 (E_RNA)
where:
Base-Base interactions energy: -786.388
where: short stacking energy: -315.450
Base-Backbone interact. energy: 4.823
local terms energy: -354.816775
where:
bonds (distance) C4'-P energy: -81.502
bonds (distance) P-C4' energy: -63.950
flat angles C4'-P-C4' energy: -83.331
flat angles P-C4'-P energy: -47.848
tors. eta vs tors. theta energy: -78.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 548
Temperature: 1.150000
Total energy: -1039.733397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.733397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.733397 (E_RNA)
where:
Base-Base interactions energy: -681.783
where: short stacking energy: -305.709
Base-Backbone interact. energy: 0.938
local terms energy: -358.887918
where:
bonds (distance) C4'-P energy: -73.087
bonds (distance) P-C4' energy: -76.956
flat angles C4'-P-C4' energy: -75.793
flat angles P-C4'-P energy: -47.534
tors. eta vs tors. theta energy: -85.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 548
Temperature: 1.200000
Total energy: -941.005755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.005755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.005755 (E_RNA)
where:
Base-Base interactions energy: -636.555
where: short stacking energy: -259.139
Base-Backbone interact. energy: -1.309
local terms energy: -303.142262
where:
bonds (distance) C4'-P energy: -51.454
bonds (distance) P-C4' energy: -60.296
flat angles C4'-P-C4' energy: -74.092
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -67.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 548
Temperature: 1.250000
Total energy: -593.423518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.423518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.423518 (E_RNA)
where:
Base-Base interactions energy: -331.930
where: short stacking energy: -174.216
Base-Backbone interact. energy: -0.466
local terms energy: -261.027556
where:
bonds (distance) C4'-P energy: -70.817
bonds (distance) P-C4' energy: -64.368
flat angles C4'-P-C4' energy: -66.396
flat angles P-C4'-P energy: -41.577
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 548
Temperature: 1.300000
Total energy: -376.120314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.120314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.120314 (E_RNA)
where:
Base-Base interactions energy: -155.345
where: short stacking energy: -92.619
Base-Backbone interact. energy: -0.947
local terms energy: -219.828196
where:
bonds (distance) C4'-P energy: -63.482
bonds (distance) P-C4' energy: -74.526
flat angles C4'-P-C4' energy: -53.793
flat angles P-C4'-P energy: -38.026
tors. eta vs tors. theta energy: 9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 548
Temperature: 1.350000
Total energy: -322.095760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.095760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.095760 (E_RNA)
where:
Base-Base interactions energy: -125.438
where: short stacking energy: -88.995
Base-Backbone interact. energy: 2.579
local terms energy: -199.237013
where:
bonds (distance) C4'-P energy: -65.393
bonds (distance) P-C4' energy: -76.014
flat angles C4'-P-C4' energy: -54.396
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: 14.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 549
Temperature: 0.900000
Total energy: -1405.601726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.601726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.601726 (E_RNA)
where:
Base-Base interactions energy: -972.316
where: short stacking energy: -419.186
Base-Backbone interact. energy: -0.114
local terms energy: -433.171313
where:
bonds (distance) C4'-P energy: -75.599
bonds (distance) P-C4' energy: -75.573
flat angles C4'-P-C4' energy: -91.114
flat angles P-C4'-P energy: -66.409
tors. eta vs tors. theta energy: -124.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 549
Temperature: 0.950000
Total energy: -1310.838812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.838812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.838812 (E_RNA)
where:
Base-Base interactions energy: -915.040
where: short stacking energy: -378.599
Base-Backbone interact. energy: -2.046
local terms energy: -393.752766
where:
bonds (distance) C4'-P energy: -67.729
bonds (distance) P-C4' energy: -71.041
flat angles C4'-P-C4' energy: -92.888
flat angles P-C4'-P energy: -48.505
tors. eta vs tors. theta energy: -113.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 549
Temperature: 1.000000
Total energy: -1356.031692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.031692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.031692 (E_RNA)
where:
Base-Base interactions energy: -945.878
where: short stacking energy: -381.201
Base-Backbone interact. energy: -1.091
local terms energy: -409.062390
where:
bonds (distance) C4'-P energy: -68.863
bonds (distance) P-C4' energy: -69.245
flat angles C4'-P-C4' energy: -89.756
flat angles P-C4'-P energy: -60.270
tors. eta vs tors. theta energy: -120.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 549
Temperature: 1.050000
Total energy: -1210.716975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.716975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.716975 (E_RNA)
where:
Base-Base interactions energy: -819.661
where: short stacking energy: -366.089
Base-Backbone interact. energy: -2.120
local terms energy: -388.936762
where:
bonds (distance) C4'-P energy: -61.712
bonds (distance) P-C4' energy: -72.141
flat angles C4'-P-C4' energy: -84.768
flat angles P-C4'-P energy: -55.645
tors. eta vs tors. theta energy: -114.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 549
Temperature: 1.100000
Total energy: -1137.677219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.677219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.677219 (E_RNA)
where:
Base-Base interactions energy: -783.809
where: short stacking energy: -323.880
Base-Backbone interact. energy: -4.270
local terms energy: -349.598521
where:
bonds (distance) C4'-P energy: -74.666
bonds (distance) P-C4' energy: -64.193
flat angles C4'-P-C4' energy: -83.128
flat angles P-C4'-P energy: -44.497
tors. eta vs tors. theta energy: -83.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 549
Temperature: 1.150000
Total energy: -1064.535991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.535991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.535991 (E_RNA)
where:
Base-Base interactions energy: -718.105
where: short stacking energy: -317.797
Base-Backbone interact. energy: 0.743
local terms energy: -347.174847
where:
bonds (distance) C4'-P energy: -70.349
bonds (distance) P-C4' energy: -66.525
flat angles C4'-P-C4' energy: -69.408
flat angles P-C4'-P energy: -47.105
tors. eta vs tors. theta energy: -93.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 549
Temperature: 1.200000
Total energy: -950.132624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.132624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.132624 (E_RNA)
where:
Base-Base interactions energy: -635.430
where: short stacking energy: -258.107
Base-Backbone interact. energy: -2.948
local terms energy: -311.754563
where:
bonds (distance) C4'-P energy: -58.995
bonds (distance) P-C4' energy: -73.744
flat angles C4'-P-C4' energy: -73.414
flat angles P-C4'-P energy: -37.906
tors. eta vs tors. theta energy: -67.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 549
Temperature: 1.250000
Total energy: -519.788279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.788279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.788279 (E_RNA)
where:
Base-Base interactions energy: -256.929
where: short stacking energy: -151.517
Base-Backbone interact. energy: -1.460
local terms energy: -261.399940
where:
bonds (distance) C4'-P energy: -76.916
bonds (distance) P-C4' energy: -67.543
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -37.589
tors. eta vs tors. theta energy: -23.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 549
Temperature: 1.300000
Total energy: -417.635286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.635286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.635286 (E_RNA)
where:
Base-Base interactions energy: -179.484
where: short stacking energy: -106.382
Base-Backbone interact. energy: -0.168
local terms energy: -237.983050
where:
bonds (distance) C4'-P energy: -71.051
bonds (distance) P-C4' energy: -65.181
flat angles C4'-P-C4' energy: -57.720
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 549
Temperature: 1.350000
Total energy: -336.781062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.781062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.781062 (E_RNA)
where:
Base-Base interactions energy: -114.154
where: short stacking energy: -104.934
Base-Backbone interact. energy: 2.640
local terms energy: -225.267925
where:
bonds (distance) C4'-P energy: -61.561
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -63.644
flat angles P-C4'-P energy: -32.110
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 550
Temperature: 0.900000
Total energy: -1409.545796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.545796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.545796 (E_RNA)
where:
Base-Base interactions energy: -959.135
where: short stacking energy: -410.194
Base-Backbone interact. energy: 0.982
local terms energy: -451.392367
where:
bonds (distance) C4'-P energy: -69.783
bonds (distance) P-C4' energy: -93.985
flat angles C4'-P-C4' energy: -87.947
flat angles P-C4'-P energy: -64.043
tors. eta vs tors. theta energy: -135.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 550
Temperature: 0.950000
Total energy: -1322.244889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.244889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.244889 (E_RNA)
where:
Base-Base interactions energy: -897.448
where: short stacking energy: -367.761
Base-Backbone interact. energy: -2.415
local terms energy: -422.382446
where:
bonds (distance) C4'-P energy: -70.681
bonds (distance) P-C4' energy: -81.379
flat angles C4'-P-C4' energy: -93.201
flat angles P-C4'-P energy: -58.558
tors. eta vs tors. theta energy: -118.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 550
Temperature: 1.000000
Total energy: -1349.815465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.815465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.815465 (E_RNA)
where:
Base-Base interactions energy: -953.635
where: short stacking energy: -381.161
Base-Backbone interact. energy: -1.254
local terms energy: -394.926440
where:
bonds (distance) C4'-P energy: -68.973
bonds (distance) P-C4' energy: -73.359
flat angles C4'-P-C4' energy: -86.278
flat angles P-C4'-P energy: -49.429
tors. eta vs tors. theta energy: -116.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 550
Temperature: 1.050000
Total energy: -1204.537351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.537351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.537351 (E_RNA)
where:
Base-Base interactions energy: -805.488
where: short stacking energy: -367.562
Base-Backbone interact. energy: -0.731
local terms energy: -398.318194
where:
bonds (distance) C4'-P energy: -79.909
bonds (distance) P-C4' energy: -79.350
flat angles C4'-P-C4' energy: -83.570
flat angles P-C4'-P energy: -46.728
tors. eta vs tors. theta energy: -108.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 550
Temperature: 1.100000
Total energy: -1129.964283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.964283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.964283 (E_RNA)
where:
Base-Base interactions energy: -773.508
where: short stacking energy: -327.999
Base-Backbone interact. energy: 1.411
local terms energy: -357.867414
where:
bonds (distance) C4'-P energy: -73.240
bonds (distance) P-C4' energy: -80.028
flat angles C4'-P-C4' energy: -72.338
flat angles P-C4'-P energy: -47.154
tors. eta vs tors. theta energy: -85.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 550
Temperature: 1.150000
Total energy: -1080.562076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.562076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.562076 (E_RNA)
where:
Base-Base interactions energy: -719.997
where: short stacking energy: -302.372
Base-Backbone interact. energy: -1.704
local terms energy: -358.861301
where:
bonds (distance) C4'-P energy: -68.399
bonds (distance) P-C4' energy: -78.612
flat angles C4'-P-C4' energy: -76.678
flat angles P-C4'-P energy: -49.557
tors. eta vs tors. theta energy: -85.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 550
Temperature: 1.200000
Total energy: -936.452015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.452015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.452015 (E_RNA)
where:
Base-Base interactions energy: -627.565
where: short stacking energy: -270.055
Base-Backbone interact. energy: 1.614
local terms energy: -310.500446
where:
bonds (distance) C4'-P energy: -56.030
bonds (distance) P-C4' energy: -68.867
flat angles C4'-P-C4' energy: -70.793
flat angles P-C4'-P energy: -47.559
tors. eta vs tors. theta energy: -67.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 550
Temperature: 1.250000
Total energy: -573.613605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.613605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.613605 (E_RNA)
where:
Base-Base interactions energy: -329.034
where: short stacking energy: -164.060
Base-Backbone interact. energy: -2.350
local terms energy: -242.229707
where:
bonds (distance) C4'-P energy: -75.989
bonds (distance) P-C4' energy: -69.454
flat angles C4'-P-C4' energy: -59.853
flat angles P-C4'-P energy: -28.921
tors. eta vs tors. theta energy: -8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 550
Temperature: 1.300000
Total energy: -330.933264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.933264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.933264 (E_RNA)
where:
Base-Base interactions energy: -114.109
where: short stacking energy: -95.373
Base-Backbone interact. energy: -0.934
local terms energy: -215.890001
where:
bonds (distance) C4'-P energy: -57.796
bonds (distance) P-C4' energy: -68.205
flat angles C4'-P-C4' energy: -55.142
flat angles P-C4'-P energy: -35.584
tors. eta vs tors. theta energy: 0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 550
Temperature: 1.350000
Total energy: -316.080622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.080622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.080622 (E_RNA)
where:
Base-Base interactions energy: -115.017
where: short stacking energy: -64.968
Base-Backbone interact. energy: 1.396
local terms energy: -202.460057
where:
bonds (distance) C4'-P energy: -67.951
bonds (distance) P-C4' energy: -70.906
flat angles C4'-P-C4' energy: -43.408
flat angles P-C4'-P energy: -33.634
tors. eta vs tors. theta energy: 13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 551
Temperature: 0.900000
Total energy: -1428.307401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.307401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.307401 (E_RNA)
where:
Base-Base interactions energy: -986.911
where: short stacking energy: -411.009
Base-Backbone interact. energy: 0.080
local terms energy: -441.477049
where:
bonds (distance) C4'-P energy: -70.679
bonds (distance) P-C4' energy: -85.690
flat angles C4'-P-C4' energy: -92.469
flat angles P-C4'-P energy: -61.935
tors. eta vs tors. theta energy: -130.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 551
Temperature: 0.950000
Total energy: -1383.009868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.009868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.009868 (E_RNA)
where:
Base-Base interactions energy: -947.653
where: short stacking energy: -363.223
Base-Backbone interact. energy: -1.599
local terms energy: -433.758095
where:
bonds (distance) C4'-P energy: -92.440
bonds (distance) P-C4' energy: -86.113
flat angles C4'-P-C4' energy: -85.257
flat angles P-C4'-P energy: -58.269
tors. eta vs tors. theta energy: -111.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 551
Temperature: 1.000000
Total energy: -1304.156035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.156035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.156035 (E_RNA)
where:
Base-Base interactions energy: -886.779
where: short stacking energy: -364.470
Base-Backbone interact. energy: -1.548
local terms energy: -415.828880
where:
bonds (distance) C4'-P energy: -93.066
bonds (distance) P-C4' energy: -67.152
flat angles C4'-P-C4' energy: -88.814
flat angles P-C4'-P energy: -59.355
tors. eta vs tors. theta energy: -107.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 551
Temperature: 1.050000
Total energy: -1190.763788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.763788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.763788 (E_RNA)
where:
Base-Base interactions energy: -787.256
where: short stacking energy: -340.607
Base-Backbone interact. energy: -2.631
local terms energy: -400.877007
where:
bonds (distance) C4'-P energy: -74.185
bonds (distance) P-C4' energy: -83.621
flat angles C4'-P-C4' energy: -75.864
flat angles P-C4'-P energy: -70.040
tors. eta vs tors. theta energy: -97.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 551
Temperature: 1.100000
Total energy: -1183.888279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.888279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.888279 (E_RNA)
where:
Base-Base interactions energy: -823.428
where: short stacking energy: -332.380
Base-Backbone interact. energy: 0.843
local terms energy: -361.303294
where:
bonds (distance) C4'-P energy: -74.155
bonds (distance) P-C4' energy: -68.896
flat angles C4'-P-C4' energy: -70.501
flat angles P-C4'-P energy: -47.474
tors. eta vs tors. theta energy: -100.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 551
Temperature: 1.150000
Total energy: -1080.102873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.102873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.102873 (E_RNA)
where:
Base-Base interactions energy: -722.205
where: short stacking energy: -307.119
Base-Backbone interact. energy: -1.218
local terms energy: -356.680283
where:
bonds (distance) C4'-P energy: -64.626
bonds (distance) P-C4' energy: -74.796
flat angles C4'-P-C4' energy: -73.399
flat angles P-C4'-P energy: -51.569
tors. eta vs tors. theta energy: -92.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 551
Temperature: 1.200000
Total energy: -916.985104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.985104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.985104 (E_RNA)
where:
Base-Base interactions energy: -609.012
where: short stacking energy: -252.684
Base-Backbone interact. energy: 0.480
local terms energy: -308.453350
where:
bonds (distance) C4'-P energy: -63.460
bonds (distance) P-C4' energy: -68.575
flat angles C4'-P-C4' energy: -65.860
flat angles P-C4'-P energy: -40.796
tors. eta vs tors. theta energy: -69.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 551
Temperature: 1.250000
Total energy: -570.715297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.715297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.715297 (E_RNA)
where:
Base-Base interactions energy: -328.771
where: short stacking energy: -147.793
Base-Backbone interact. energy: -4.116
local terms energy: -237.827763
where:
bonds (distance) C4'-P energy: -68.165
bonds (distance) P-C4' energy: -55.853
flat angles C4'-P-C4' energy: -65.971
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 551
Temperature: 1.300000
Total energy: -370.130435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.130435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.130435 (E_RNA)
where:
Base-Base interactions energy: -133.084
where: short stacking energy: -89.078
Base-Backbone interact. energy: 4.500
local terms energy: -241.546470
where:
bonds (distance) C4'-P energy: -72.247
bonds (distance) P-C4' energy: -75.447
flat angles C4'-P-C4' energy: -50.168
flat angles P-C4'-P energy: -40.251
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 551
Temperature: 1.350000
Total energy: -315.816452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.816452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.816452 (E_RNA)
where:
Base-Base interactions energy: -106.951
where: short stacking energy: -70.555
Base-Backbone interact. energy: 1.255
local terms energy: -210.120206
where:
bonds (distance) C4'-P energy: -68.712
bonds (distance) P-C4' energy: -67.724
flat angles C4'-P-C4' energy: -65.194
flat angles P-C4'-P energy: -26.108
tors. eta vs tors. theta energy: 17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 552
Temperature: 0.900000
Total energy: -1413.499092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.499092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.499092 (E_RNA)
where:
Base-Base interactions energy: -980.755
where: short stacking energy: -404.349
Base-Backbone interact. energy: -1.781
local terms energy: -430.963392
where:
bonds (distance) C4'-P energy: -73.109
bonds (distance) P-C4' energy: -76.240
flat angles C4'-P-C4' energy: -88.884
flat angles P-C4'-P energy: -60.549
tors. eta vs tors. theta energy: -132.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 552
Temperature: 0.950000
Total energy: -1398.003881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.003881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.003881 (E_RNA)
where:
Base-Base interactions energy: -971.036
where: short stacking energy: -390.149
Base-Backbone interact. energy: -1.145
local terms energy: -425.823305
where:
bonds (distance) C4'-P energy: -77.655
bonds (distance) P-C4' energy: -78.388
flat angles C4'-P-C4' energy: -92.258
flat angles P-C4'-P energy: -57.449
tors. eta vs tors. theta energy: -120.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 552
Temperature: 1.000000
Total energy: -1292.154375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.154375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.154375 (E_RNA)
where:
Base-Base interactions energy: -879.784
where: short stacking energy: -356.844
Base-Backbone interact. energy: -1.961
local terms energy: -410.408969
where:
bonds (distance) C4'-P energy: -70.496
bonds (distance) P-C4' energy: -79.058
flat angles C4'-P-C4' energy: -88.001
flat angles P-C4'-P energy: -57.550
tors. eta vs tors. theta energy: -115.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 552
Temperature: 1.050000
Total energy: -1218.233483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.233483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.233483 (E_RNA)
where:
Base-Base interactions energy: -828.275
where: short stacking energy: -371.637
Base-Backbone interact. energy: -2.290
local terms energy: -387.667815
where:
bonds (distance) C4'-P energy: -60.589
bonds (distance) P-C4' energy: -71.590
flat angles C4'-P-C4' energy: -88.281
flat angles P-C4'-P energy: -47.616
tors. eta vs tors. theta energy: -119.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 552
Temperature: 1.100000
Total energy: -1116.292131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.292131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.292131 (E_RNA)
where:
Base-Base interactions energy: -724.371
where: short stacking energy: -333.452
Base-Backbone interact. energy: -0.640
local terms energy: -391.281618
where:
bonds (distance) C4'-P energy: -74.887
bonds (distance) P-C4' energy: -74.461
flat angles C4'-P-C4' energy: -86.716
flat angles P-C4'-P energy: -50.738
tors. eta vs tors. theta energy: -104.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 552
Temperature: 1.150000
Total energy: -1082.231582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.231582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.231582 (E_RNA)
where:
Base-Base interactions energy: -735.398
where: short stacking energy: -295.618
Base-Backbone interact. energy: -0.421
local terms energy: -346.413227
where:
bonds (distance) C4'-P energy: -62.006
bonds (distance) P-C4' energy: -73.448
flat angles C4'-P-C4' energy: -84.104
flat angles P-C4'-P energy: -45.541
tors. eta vs tors. theta energy: -81.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 552
Temperature: 1.200000
Total energy: -887.365146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.365146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.365146 (E_RNA)
where:
Base-Base interactions energy: -557.724
where: short stacking energy: -230.672
Base-Backbone interact. energy: -2.284
local terms energy: -327.357866
where:
bonds (distance) C4'-P energy: -68.229
bonds (distance) P-C4' energy: -80.544
flat angles C4'-P-C4' energy: -80.264
flat angles P-C4'-P energy: -46.717
tors. eta vs tors. theta energy: -51.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 552
Temperature: 1.250000
Total energy: -590.626050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.626050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.626050 (E_RNA)
where:
Base-Base interactions energy: -344.533
where: short stacking energy: -162.441
Base-Backbone interact. energy: -0.720
local terms energy: -245.372799
where:
bonds (distance) C4'-P energy: -57.393
bonds (distance) P-C4' energy: -69.987
flat angles C4'-P-C4' energy: -44.906
flat angles P-C4'-P energy: -48.169
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 552
Temperature: 1.300000
Total energy: -370.520765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.520765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.520765 (E_RNA)
where:
Base-Base interactions energy: -142.535
where: short stacking energy: -119.402
Base-Backbone interact. energy: -0.351
local terms energy: -227.634783
where:
bonds (distance) C4'-P energy: -68.219
bonds (distance) P-C4' energy: -76.016
flat angles C4'-P-C4' energy: -53.935
flat angles P-C4'-P energy: -34.522
tors. eta vs tors. theta energy: 5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 552
Temperature: 1.350000
Total energy: -343.188940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.188940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.188940 (E_RNA)
where:
Base-Base interactions energy: -121.401
where: short stacking energy: -88.505
Base-Backbone interact. energy: -0.069
local terms energy: -221.718744
where:
bonds (distance) C4'-P energy: -50.909
bonds (distance) P-C4' energy: -75.245
flat angles C4'-P-C4' energy: -68.265
flat angles P-C4'-P energy: -38.191
tors. eta vs tors. theta energy: 10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 553
Temperature: 0.900000
Total energy: -1426.941434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.941434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.941434 (E_RNA)
where:
Base-Base interactions energy: -988.648
where: short stacking energy: -421.804
Base-Backbone interact. energy: -1.591
local terms energy: -436.702159
where:
bonds (distance) C4'-P energy: -77.346
bonds (distance) P-C4' energy: -72.783
flat angles C4'-P-C4' energy: -94.059
flat angles P-C4'-P energy: -60.673
tors. eta vs tors. theta energy: -131.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 553
Temperature: 0.950000
Total energy: -1406.439079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.439079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.439079 (E_RNA)
where:
Base-Base interactions energy: -979.376
where: short stacking energy: -379.284
Base-Backbone interact. energy: -2.050
local terms energy: -425.013656
where:
bonds (distance) C4'-P energy: -79.262
bonds (distance) P-C4' energy: -82.954
flat angles C4'-P-C4' energy: -83.126
flat angles P-C4'-P energy: -59.498
tors. eta vs tors. theta energy: -120.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 553
Temperature: 1.000000
Total energy: -1321.892333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.892333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.892333 (E_RNA)
where:
Base-Base interactions energy: -914.283
where: short stacking energy: -365.365
Base-Backbone interact. energy: 0.049
local terms energy: -407.657607
where:
bonds (distance) C4'-P energy: -63.719
bonds (distance) P-C4' energy: -75.940
flat angles C4'-P-C4' energy: -94.787
flat angles P-C4'-P energy: -53.340
tors. eta vs tors. theta energy: -119.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 553
Temperature: 1.050000
Total energy: -1251.017557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.017557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.017557 (E_RNA)
where:
Base-Base interactions energy: -854.111
where: short stacking energy: -361.940
Base-Backbone interact. energy: -1.230
local terms energy: -395.676859
where:
bonds (distance) C4'-P energy: -67.376
bonds (distance) P-C4' energy: -89.059
flat angles C4'-P-C4' energy: -74.318
flat angles P-C4'-P energy: -51.944
tors. eta vs tors. theta energy: -112.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 553
Temperature: 1.100000
Total energy: -1115.369862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.369862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.369862 (E_RNA)
where:
Base-Base interactions energy: -741.140
where: short stacking energy: -327.210
Base-Backbone interact. energy: -0.704
local terms energy: -373.526439
where:
bonds (distance) C4'-P energy: -76.537
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -77.941
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: -99.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 553
Temperature: 1.150000
Total energy: -1074.482521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.482521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.482521 (E_RNA)
where:
Base-Base interactions energy: -716.703
where: short stacking energy: -281.052
Base-Backbone interact. energy: -2.175
local terms energy: -355.604782
where:
bonds (distance) C4'-P energy: -77.147
bonds (distance) P-C4' energy: -73.167
flat angles C4'-P-C4' energy: -72.321
flat angles P-C4'-P energy: -52.373
tors. eta vs tors. theta energy: -80.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 553
Temperature: 1.200000
Total energy: -940.986597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.986597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.986597 (E_RNA)
where:
Base-Base interactions energy: -618.286
where: short stacking energy: -267.689
Base-Backbone interact. energy: -0.803
local terms energy: -321.897315
where:
bonds (distance) C4'-P energy: -74.523
bonds (distance) P-C4' energy: -64.059
flat angles C4'-P-C4' energy: -68.546
flat angles P-C4'-P energy: -47.613
tors. eta vs tors. theta energy: -67.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 553
Temperature: 1.250000
Total energy: -593.644227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.644227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.644227 (E_RNA)
where:
Base-Base interactions energy: -344.673
where: short stacking energy: -173.280
Base-Backbone interact. energy: -2.609
local terms energy: -246.362194
where:
bonds (distance) C4'-P energy: -73.244
bonds (distance) P-C4' energy: -47.387
flat angles C4'-P-C4' energy: -51.851
flat angles P-C4'-P energy: -36.425
tors. eta vs tors. theta energy: -37.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 553
Temperature: 1.300000
Total energy: -334.100298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.100298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.100298 (E_RNA)
where:
Base-Base interactions energy: -108.720
where: short stacking energy: -96.438
Base-Backbone interact. energy: -1.390
local terms energy: -223.990364
where:
bonds (distance) C4'-P energy: -68.121
bonds (distance) P-C4' energy: -73.100
flat angles C4'-P-C4' energy: -52.507
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: 3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 553
Temperature: 1.350000
Total energy: -323.998401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.998401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.998401 (E_RNA)
where:
Base-Base interactions energy: -93.017
where: short stacking energy: -69.599
Base-Backbone interact. energy: 0.515
local terms energy: -231.496162
where:
bonds (distance) C4'-P energy: -64.326
bonds (distance) P-C4' energy: -74.851
flat angles C4'-P-C4' energy: -66.913
flat angles P-C4'-P energy: -32.217
tors. eta vs tors. theta energy: 6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
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DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 554
Temperature: 0.900000
Total energy: -1394.221260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.221260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.221260 (E_RNA)
where:
Base-Base interactions energy: -946.657
where: short stacking energy: -388.153
Base-Backbone interact. energy: -1.937
local terms energy: -445.626946
where:
bonds (distance) C4'-P energy: -79.244
bonds (distance) P-C4' energy: -87.434
flat angles C4'-P-C4' energy: -93.646
flat angles P-C4'-P energy: -61.007
tors. eta vs tors. theta energy: -124.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 554
Temperature: 0.950000
Total energy: -1400.382435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.382435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.382435 (E_RNA)
where:
Base-Base interactions energy: -965.150
where: short stacking energy: -411.511
Base-Backbone interact. energy: -2.302
local terms energy: -432.930515
where:
bonds (distance) C4'-P energy: -81.307
bonds (distance) P-C4' energy: -72.915
flat angles C4'-P-C4' energy: -89.157
flat angles P-C4'-P energy: -57.918
tors. eta vs tors. theta energy: -131.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 554
Temperature: 1.000000
Total energy: -1311.376482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.376482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.376482 (E_RNA)
where:
Base-Base interactions energy: -904.163
where: short stacking energy: -368.918
Base-Backbone interact. energy: -1.766
local terms energy: -405.447881
where:
bonds (distance) C4'-P energy: -77.495
bonds (distance) P-C4' energy: -68.416
flat angles C4'-P-C4' energy: -89.648
flat angles P-C4'-P energy: -57.857
tors. eta vs tors. theta energy: -112.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 554
Temperature: 1.050000
Total energy: -1226.693816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.693816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.693816 (E_RNA)
where:
Base-Base interactions energy: -833.271
where: short stacking energy: -355.026
Base-Backbone interact. energy: -1.333
local terms energy: -392.090017
where:
bonds (distance) C4'-P energy: -57.236
bonds (distance) P-C4' energy: -76.715
flat angles C4'-P-C4' energy: -87.104
flat angles P-C4'-P energy: -60.429
tors. eta vs tors. theta energy: -110.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 554
Temperature: 1.100000
Total energy: -1117.311030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.311030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.311030 (E_RNA)
where:
Base-Base interactions energy: -743.574
where: short stacking energy: -327.076
Base-Backbone interact. energy: -0.964
local terms energy: -372.773218
where:
bonds (distance) C4'-P energy: -68.520
bonds (distance) P-C4' energy: -83.841
flat angles C4'-P-C4' energy: -80.848
flat angles P-C4'-P energy: -48.828
tors. eta vs tors. theta energy: -90.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 554
Temperature: 1.150000
Total energy: -1126.198368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.198368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.198368 (E_RNA)
where:
Base-Base interactions energy: -781.021
where: short stacking energy: -295.971
Base-Backbone interact. energy: 2.992
local terms energy: -348.169044
where:
bonds (distance) C4'-P energy: -75.238
bonds (distance) P-C4' energy: -63.389
flat angles C4'-P-C4' energy: -79.553
flat angles P-C4'-P energy: -47.502
tors. eta vs tors. theta energy: -82.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 554
Temperature: 1.200000
Total energy: -936.513691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.513691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.513691 (E_RNA)
where:
Base-Base interactions energy: -624.757
where: short stacking energy: -254.434
Base-Backbone interact. energy: 3.599
local terms energy: -315.354872
where:
bonds (distance) C4'-P energy: -60.127
bonds (distance) P-C4' energy: -75.228
flat angles C4'-P-C4' energy: -67.832
flat angles P-C4'-P energy: -53.966
tors. eta vs tors. theta energy: -58.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 554
Temperature: 1.250000
Total energy: -560.221302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.221302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.221302 (E_RNA)
where:
Base-Base interactions energy: -317.386
where: short stacking energy: -134.108
Base-Backbone interact. energy: -2.599
local terms energy: -240.236293
where:
bonds (distance) C4'-P energy: -64.823
bonds (distance) P-C4' energy: -71.961
flat angles C4'-P-C4' energy: -48.471
flat angles P-C4'-P energy: -43.201
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 554
Temperature: 1.300000
Total energy: -333.726609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.726609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.726609 (E_RNA)
where:
Base-Base interactions energy: -116.847
where: short stacking energy: -95.246
Base-Backbone interact. energy: -0.371
local terms energy: -216.508751
where:
bonds (distance) C4'-P energy: -61.831
bonds (distance) P-C4' energy: -61.899
flat angles C4'-P-C4' energy: -47.011
flat angles P-C4'-P energy: -39.944
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 554
Temperature: 1.350000
Total energy: -319.128978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.128978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.128978 (E_RNA)
where:
Base-Base interactions energy: -98.968
where: short stacking energy: -80.543
Base-Backbone interact. energy: -1.575
local terms energy: -218.585921
where:
bonds (distance) C4'-P energy: -58.430
bonds (distance) P-C4' energy: -73.928
flat angles C4'-P-C4' energy: -55.371
flat angles P-C4'-P energy: -45.085
tors. eta vs tors. theta energy: 14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 555
Temperature: 0.900000
Total energy: -1395.181005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.181005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.181005 (E_RNA)
where:
Base-Base interactions energy: -956.435
where: short stacking energy: -404.094
Base-Backbone interact. energy: -1.172
local terms energy: -437.573665
where:
bonds (distance) C4'-P energy: -78.024
bonds (distance) P-C4' energy: -87.206
flat angles C4'-P-C4' energy: -85.763
flat angles P-C4'-P energy: -62.069
tors. eta vs tors. theta energy: -124.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 555
Temperature: 0.950000
Total energy: -1335.872534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.872534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.872534 (E_RNA)
where:
Base-Base interactions energy: -927.187
where: short stacking energy: -387.302
Base-Backbone interact. energy: -1.459
local terms energy: -407.227237
where:
bonds (distance) C4'-P energy: -77.656
bonds (distance) P-C4' energy: -70.597
flat angles C4'-P-C4' energy: -87.484
flat angles P-C4'-P energy: -58.250
tors. eta vs tors. theta energy: -113.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 555
Temperature: 1.000000
Total energy: -1367.717165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.717165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.717165 (E_RNA)
where:
Base-Base interactions energy: -947.888
where: short stacking energy: -398.020
Base-Backbone interact. energy: 0.137
local terms energy: -419.966282
where:
bonds (distance) C4'-P energy: -84.941
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -91.915
flat angles P-C4'-P energy: -53.641
tors. eta vs tors. theta energy: -128.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 555
Temperature: 1.050000
Total energy: -1234.201717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.201717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.201717 (E_RNA)
where:
Base-Base interactions energy: -842.357
where: short stacking energy: -367.642
Base-Backbone interact. energy: 1.566
local terms energy: -393.410092
where:
bonds (distance) C4'-P energy: -68.250
bonds (distance) P-C4' energy: -89.486
flat angles C4'-P-C4' energy: -71.770
flat angles P-C4'-P energy: -49.597
tors. eta vs tors. theta energy: -114.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 555
Temperature: 1.100000
Total energy: -1095.166497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.166497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.166497 (E_RNA)
where:
Base-Base interactions energy: -724.627
where: short stacking energy: -296.318
Base-Backbone interact. energy: -0.723
local terms energy: -369.816964
where:
bonds (distance) C4'-P energy: -75.001
bonds (distance) P-C4' energy: -81.712
flat angles C4'-P-C4' energy: -72.448
flat angles P-C4'-P energy: -50.523
tors. eta vs tors. theta energy: -90.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 555
Temperature: 1.150000
Total energy: -1027.343002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.343002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.343002 (E_RNA)
where:
Base-Base interactions energy: -688.747
where: short stacking energy: -272.651
Base-Backbone interact. energy: -3.532
local terms energy: -335.064439
where:
bonds (distance) C4'-P energy: -59.731
bonds (distance) P-C4' energy: -62.953
flat angles C4'-P-C4' energy: -78.832
flat angles P-C4'-P energy: -68.157
tors. eta vs tors. theta energy: -65.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 555
Temperature: 1.200000
Total energy: -969.876346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.876346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.876346 (E_RNA)
where:
Base-Base interactions energy: -667.418
where: short stacking energy: -263.559
Base-Backbone interact. energy: -1.429
local terms energy: -301.029331
where:
bonds (distance) C4'-P energy: -65.977
bonds (distance) P-C4' energy: -70.449
flat angles C4'-P-C4' energy: -65.701
flat angles P-C4'-P energy: -28.593
tors. eta vs tors. theta energy: -70.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 555
Temperature: 1.250000
Total energy: -579.711587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.711587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.711587 (E_RNA)
where:
Base-Base interactions energy: -341.848
where: short stacking energy: -185.687
Base-Backbone interact. energy: -1.366
local terms energy: -236.497890
where:
bonds (distance) C4'-P energy: -55.418
bonds (distance) P-C4' energy: -70.271
flat angles C4'-P-C4' energy: -55.729
flat angles P-C4'-P energy: -31.274
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 555
Temperature: 1.300000
Total energy: -331.613241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.613241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.613241 (E_RNA)
where:
Base-Base interactions energy: -131.408
where: short stacking energy: -83.419
Base-Backbone interact. energy: 5.594
local terms energy: -205.799541
where:
bonds (distance) C4'-P energy: -60.601
bonds (distance) P-C4' energy: -66.124
flat angles C4'-P-C4' energy: -69.544
flat angles P-C4'-P energy: -29.919
tors. eta vs tors. theta energy: 20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 555
Temperature: 1.350000
Total energy: -326.737209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.737209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.737209 (E_RNA)
where:
Base-Base interactions energy: -102.705
where: short stacking energy: -74.115
Base-Backbone interact. energy: 0.774
local terms energy: -224.806521
where:
bonds (distance) C4'-P energy: -63.054
bonds (distance) P-C4' energy: -62.439
flat angles C4'-P-C4' energy: -75.145
flat angles P-C4'-P energy: -39.665
tors. eta vs tors. theta energy: 15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 556
Temperature: 0.900000
Total energy: -1394.158950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.158950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.158950 (E_RNA)
where:
Base-Base interactions energy: -974.120
where: short stacking energy: -413.567
Base-Backbone interact. energy: -2.645
local terms energy: -417.393394
where:
bonds (distance) C4'-P energy: -78.181
bonds (distance) P-C4' energy: -65.372
flat angles C4'-P-C4' energy: -88.748
flat angles P-C4'-P energy: -60.703
tors. eta vs tors. theta energy: -124.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 556
Temperature: 0.950000
Total energy: -1317.335398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.335398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.335398 (E_RNA)
where:
Base-Base interactions energy: -906.308
where: short stacking energy: -374.322
Base-Backbone interact. energy: -0.617
local terms energy: -410.409950
where:
bonds (distance) C4'-P energy: -66.411
bonds (distance) P-C4' energy: -82.188
flat angles C4'-P-C4' energy: -81.786
flat angles P-C4'-P energy: -66.035
tors. eta vs tors. theta energy: -113.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 556
Temperature: 1.000000
Total energy: -1363.420387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.420387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.420387 (E_RNA)
where:
Base-Base interactions energy: -955.823
where: short stacking energy: -389.552
Base-Backbone interact. energy: 1.932
local terms energy: -409.529766
where:
bonds (distance) C4'-P energy: -76.930
bonds (distance) P-C4' energy: -67.912
flat angles C4'-P-C4' energy: -86.670
flat angles P-C4'-P energy: -54.114
tors. eta vs tors. theta energy: -123.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 556
Temperature: 1.050000
Total energy: -1228.170940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.170940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.170940 (E_RNA)
where:
Base-Base interactions energy: -826.385
where: short stacking energy: -373.156
Base-Backbone interact. energy: -2.358
local terms energy: -399.428145
where:
bonds (distance) C4'-P energy: -66.604
bonds (distance) P-C4' energy: -69.573
flat angles C4'-P-C4' energy: -91.608
flat angles P-C4'-P energy: -60.395
tors. eta vs tors. theta energy: -111.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 556
Temperature: 1.100000
Total energy: -1139.872051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.872051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.872051 (E_RNA)
where:
Base-Base interactions energy: -742.074
where: short stacking energy: -319.674
Base-Backbone interact. energy: -1.530
local terms energy: -396.267774
where:
bonds (distance) C4'-P energy: -72.104
bonds (distance) P-C4' energy: -76.586
flat angles C4'-P-C4' energy: -87.132
flat angles P-C4'-P energy: -57.016
tors. eta vs tors. theta energy: -103.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 556
Temperature: 1.150000
Total energy: -1048.603722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.603722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.603722 (E_RNA)
where:
Base-Base interactions energy: -740.931
where: short stacking energy: -297.017
Base-Backbone interact. energy: 0.163
local terms energy: -307.835385
where:
bonds (distance) C4'-P energy: -56.456
bonds (distance) P-C4' energy: -67.825
flat angles C4'-P-C4' energy: -70.821
flat angles P-C4'-P energy: -31.316
tors. eta vs tors. theta energy: -81.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 556
Temperature: 1.200000
Total energy: -921.095185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.095185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.095185 (E_RNA)
where:
Base-Base interactions energy: -592.190
where: short stacking energy: -256.847
Base-Backbone interact. energy: -1.854
local terms energy: -327.051229
where:
bonds (distance) C4'-P energy: -70.202
bonds (distance) P-C4' energy: -77.825
flat angles C4'-P-C4' energy: -64.075
flat angles P-C4'-P energy: -45.472
tors. eta vs tors. theta energy: -69.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 556
Temperature: 1.250000
Total energy: -578.650226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.650226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.650226 (E_RNA)
where:
Base-Base interactions energy: -337.933
where: short stacking energy: -167.768
Base-Backbone interact. energy: -2.397
local terms energy: -238.319920
where:
bonds (distance) C4'-P energy: -72.201
bonds (distance) P-C4' energy: -71.140
flat angles C4'-P-C4' energy: -64.010
flat angles P-C4'-P energy: -29.014
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 556
Temperature: 1.300000
Total energy: -354.899488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.899488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.899488 (E_RNA)
where:
Base-Base interactions energy: -129.742
where: short stacking energy: -69.159
Base-Backbone interact. energy: -0.364
local terms energy: -224.793414
where:
bonds (distance) C4'-P energy: -72.614
bonds (distance) P-C4' energy: -81.549
flat angles C4'-P-C4' energy: -62.264
flat angles P-C4'-P energy: -23.432
tors. eta vs tors. theta energy: 15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 556
Temperature: 1.350000
Total energy: -319.232331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.232331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.232331 (E_RNA)
where:
Base-Base interactions energy: -112.248
where: short stacking energy: -79.226
Base-Backbone interact. energy: 2.480
local terms energy: -209.464096
where:
bonds (distance) C4'-P energy: -66.496
bonds (distance) P-C4' energy: -70.130
flat angles C4'-P-C4' energy: -61.624
flat angles P-C4'-P energy: -37.959
tors. eta vs tors. theta energy: 26.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 557
Temperature: 0.900000
Total energy: -1408.481700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.481700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.481700 (E_RNA)
where:
Base-Base interactions energy: -984.085
where: short stacking energy: -391.469
Base-Backbone interact. energy: -1.617
local terms energy: -422.779385
where:
bonds (distance) C4'-P energy: -77.146
bonds (distance) P-C4' energy: -77.377
flat angles C4'-P-C4' energy: -91.669
flat angles P-C4'-P energy: -51.537
tors. eta vs tors. theta energy: -125.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 557
Temperature: 0.950000
Total energy: -1404.250773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.250773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.250773 (E_RNA)
where:
Base-Base interactions energy: -970.743
where: short stacking energy: -407.847
Base-Backbone interact. energy: -0.545
local terms energy: -432.962704
where:
bonds (distance) C4'-P energy: -75.890
bonds (distance) P-C4' energy: -75.636
flat angles C4'-P-C4' energy: -87.356
flat angles P-C4'-P energy: -66.163
tors. eta vs tors. theta energy: -127.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 557
Temperature: 1.000000
Total energy: -1307.621130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.621130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.621130 (E_RNA)
where:
Base-Base interactions energy: -901.392
where: short stacking energy: -371.915
Base-Backbone interact. energy: -0.410
local terms energy: -405.819070
where:
bonds (distance) C4'-P energy: -60.445
bonds (distance) P-C4' energy: -77.992
flat angles C4'-P-C4' energy: -86.269
flat angles P-C4'-P energy: -60.858
tors. eta vs tors. theta energy: -120.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 557
Temperature: 1.050000
Total energy: -1205.329498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.329498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.329498 (E_RNA)
where:
Base-Base interactions energy: -815.930
where: short stacking energy: -356.691
Base-Backbone interact. energy: -0.548
local terms energy: -388.851126
where:
bonds (distance) C4'-P energy: -67.998
bonds (distance) P-C4' energy: -73.141
flat angles C4'-P-C4' energy: -91.158
flat angles P-C4'-P energy: -58.094
tors. eta vs tors. theta energy: -98.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 557
Temperature: 1.100000
Total energy: -1120.816563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.816563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.816563 (E_RNA)
where:
Base-Base interactions energy: -723.196
where: short stacking energy: -305.279
Base-Backbone interact. energy: 5.466
local terms energy: -403.086013
where:
bonds (distance) C4'-P energy: -89.117
bonds (distance) P-C4' energy: -70.701
flat angles C4'-P-C4' energy: -85.177
flat angles P-C4'-P energy: -51.799
tors. eta vs tors. theta energy: -106.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 557
Temperature: 1.150000
Total energy: -1061.480966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.480966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.480966 (E_RNA)
where:
Base-Base interactions energy: -724.559
where: short stacking energy: -294.071
Base-Backbone interact. energy: -0.313
local terms energy: -336.609327
where:
bonds (distance) C4'-P energy: -71.137
bonds (distance) P-C4' energy: -70.240
flat angles C4'-P-C4' energy: -76.164
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -75.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 557
Temperature: 1.200000
Total energy: -903.900074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.900074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.900074 (E_RNA)
where:
Base-Base interactions energy: -578.408
where: short stacking energy: -258.309
Base-Backbone interact. energy: -0.461
local terms energy: -325.031469
where:
bonds (distance) C4'-P energy: -71.339
bonds (distance) P-C4' energy: -81.797
flat angles C4'-P-C4' energy: -59.981
flat angles P-C4'-P energy: -37.234
tors. eta vs tors. theta energy: -74.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 557
Temperature: 1.250000
Total energy: -576.658049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.658049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.658049 (E_RNA)
where:
Base-Base interactions energy: -301.416
where: short stacking energy: -149.813
Base-Backbone interact. energy: -1.747
local terms energy: -273.495329
where:
bonds (distance) C4'-P energy: -67.405
bonds (distance) P-C4' energy: -66.907
flat angles C4'-P-C4' energy: -62.369
flat angles P-C4'-P energy: -44.232
tors. eta vs tors. theta energy: -32.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 557
Temperature: 1.300000
Total energy: -341.001423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.001423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.001423 (E_RNA)
where:
Base-Base interactions energy: -126.118
where: short stacking energy: -114.317
Base-Backbone interact. energy: -2.980
local terms energy: -211.904141
where:
bonds (distance) C4'-P energy: -59.480
bonds (distance) P-C4' energy: -63.713
flat angles C4'-P-C4' energy: -63.226
flat angles P-C4'-P energy: -31.634
tors. eta vs tors. theta energy: 6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 557
Temperature: 1.350000
Total energy: -320.819464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.819464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.819464 (E_RNA)
where:
Base-Base interactions energy: -94.826
where: short stacking energy: -90.480
Base-Backbone interact. energy: 0.633
local terms energy: -226.626811
where:
bonds (distance) C4'-P energy: -68.678
bonds (distance) P-C4' energy: -70.875
flat angles C4'-P-C4' energy: -69.606
flat angles P-C4'-P energy: -36.179
tors. eta vs tors. theta energy: 18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 558
Temperature: 0.900000
Total energy: -1398.656795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.656795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.656795 (E_RNA)
where:
Base-Base interactions energy: -966.468
where: short stacking energy: -393.121
Base-Backbone interact. energy: -2.261
local terms energy: -429.928368
where:
bonds (distance) C4'-P energy: -82.445
bonds (distance) P-C4' energy: -76.746
flat angles C4'-P-C4' energy: -87.392
flat angles P-C4'-P energy: -64.676
tors. eta vs tors. theta energy: -118.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 558
Temperature: 0.950000
Total energy: -1398.116913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.116913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.116913 (E_RNA)
where:
Base-Base interactions energy: -955.912
where: short stacking energy: -401.265
Base-Backbone interact. energy: -0.851
local terms energy: -441.353846
where:
bonds (distance) C4'-P energy: -78.784
bonds (distance) P-C4' energy: -79.910
flat angles C4'-P-C4' energy: -93.599
flat angles P-C4'-P energy: -57.813
tors. eta vs tors. theta energy: -131.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 558
Temperature: 1.000000
Total energy: -1322.629025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.629025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.629025 (E_RNA)
where:
Base-Base interactions energy: -923.193
where: short stacking energy: -370.824
Base-Backbone interact. energy: -2.591
local terms energy: -396.844927
where:
bonds (distance) C4'-P energy: -72.187
bonds (distance) P-C4' energy: -70.562
flat angles C4'-P-C4' energy: -89.304
flat angles P-C4'-P energy: -49.221
tors. eta vs tors. theta energy: -115.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 558
Temperature: 1.050000
Total energy: -1227.467166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.467166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.467166 (E_RNA)
where:
Base-Base interactions energy: -854.223
where: short stacking energy: -372.340
Base-Backbone interact. energy: -1.849
local terms energy: -371.395450
where:
bonds (distance) C4'-P energy: -72.787
bonds (distance) P-C4' energy: -53.716
flat angles C4'-P-C4' energy: -84.302
flat angles P-C4'-P energy: -43.438
tors. eta vs tors. theta energy: -117.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 558
Temperature: 1.100000
Total energy: -1090.909151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.909151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.909151 (E_RNA)
where:
Base-Base interactions energy: -718.507
where: short stacking energy: -317.500
Base-Backbone interact. energy: -0.453
local terms energy: -371.949245
where:
bonds (distance) C4'-P energy: -78.194
bonds (distance) P-C4' energy: -77.829
flat angles C4'-P-C4' energy: -79.753
flat angles P-C4'-P energy: -41.771
tors. eta vs tors. theta energy: -94.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 558
Temperature: 1.150000
Total energy: -1044.985656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.985656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.985656 (E_RNA)
where:
Base-Base interactions energy: -718.339
where: short stacking energy: -278.947
Base-Backbone interact. energy: -1.041
local terms energy: -325.605252
where:
bonds (distance) C4'-P energy: -62.401
bonds (distance) P-C4' energy: -71.443
flat angles C4'-P-C4' energy: -66.764
flat angles P-C4'-P energy: -42.728
tors. eta vs tors. theta energy: -82.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 558
Temperature: 1.200000
Total energy: -893.041876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.041876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.041876 (E_RNA)
where:
Base-Base interactions energy: -590.269
where: short stacking energy: -253.207
Base-Backbone interact. energy: 3.798
local terms energy: -306.571395
where:
bonds (distance) C4'-P energy: -58.388
bonds (distance) P-C4' energy: -75.221
flat angles C4'-P-C4' energy: -55.492
flat angles P-C4'-P energy: -56.617
tors. eta vs tors. theta energy: -60.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 558
Temperature: 1.250000
Total energy: -586.758428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.758428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.758428 (E_RNA)
where:
Base-Base interactions energy: -344.070
where: short stacking energy: -184.930
Base-Backbone interact. energy: 1.916
local terms energy: -244.604174
where:
bonds (distance) C4'-P energy: -59.685
bonds (distance) P-C4' energy: -58.772
flat angles C4'-P-C4' energy: -65.433
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -33.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 558
Temperature: 1.300000
Total energy: -330.110303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.110303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.110303 (E_RNA)
where:
Base-Base interactions energy: -96.674
where: short stacking energy: -83.540
Base-Backbone interact. energy: -1.150
local terms energy: -232.286418
where:
bonds (distance) C4'-P energy: -65.762
bonds (distance) P-C4' energy: -67.296
flat angles C4'-P-C4' energy: -64.894
flat angles P-C4'-P energy: -36.366
tors. eta vs tors. theta energy: 2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 558
Temperature: 1.350000
Total energy: -351.259893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.259893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.259893 (E_RNA)
where:
Base-Base interactions energy: -143.758
where: short stacking energy: -86.940
Base-Backbone interact. energy: -2.199
local terms energy: -205.303127
where:
bonds (distance) C4'-P energy: -51.882
bonds (distance) P-C4' energy: -81.369
flat angles C4'-P-C4' energy: -56.264
flat angles P-C4'-P energy: -37.824
tors. eta vs tors. theta energy: 22.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 559
Temperature: 0.900000
Total energy: -1391.095061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.095061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.095061 (E_RNA)
where:
Base-Base interactions energy: -964.941
where: short stacking energy: -388.481
Base-Backbone interact. energy: 0.932
local terms energy: -427.085937
where:
bonds (distance) C4'-P energy: -77.037
bonds (distance) P-C4' energy: -79.776
flat angles C4'-P-C4' energy: -88.651
flat angles P-C4'-P energy: -55.077
tors. eta vs tors. theta energy: -126.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 559
Temperature: 0.950000
Total energy: -1404.158420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.158420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.158420 (E_RNA)
where:
Base-Base interactions energy: -969.973
where: short stacking energy: -407.195
Base-Backbone interact. energy: -0.087
local terms energy: -434.097620
where:
bonds (distance) C4'-P energy: -74.963
bonds (distance) P-C4' energy: -70.899
flat angles C4'-P-C4' energy: -96.565
flat angles P-C4'-P energy: -62.228
tors. eta vs tors. theta energy: -129.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 559
Temperature: 1.000000
Total energy: -1326.146049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.146049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.146049 (E_RNA)
where:
Base-Base interactions energy: -917.539
where: short stacking energy: -373.185
Base-Backbone interact. energy: -1.710
local terms energy: -406.896953
where:
bonds (distance) C4'-P energy: -66.628
bonds (distance) P-C4' energy: -80.861
flat angles C4'-P-C4' energy: -88.176
flat angles P-C4'-P energy: -54.116
tors. eta vs tors. theta energy: -117.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 559
Temperature: 1.050000
Total energy: -1204.645980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.645980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.645980 (E_RNA)
where:
Base-Base interactions energy: -793.765
where: short stacking energy: -340.435
Base-Backbone interact. energy: -3.308
local terms energy: -407.572973
where:
bonds (distance) C4'-P energy: -84.774
bonds (distance) P-C4' energy: -84.768
flat angles C4'-P-C4' energy: -80.535
flat angles P-C4'-P energy: -61.216
tors. eta vs tors. theta energy: -96.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 559
Temperature: 1.100000
Total energy: -1108.152553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.152553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.152553 (E_RNA)
where:
Base-Base interactions energy: -740.187
where: short stacking energy: -328.541
Base-Backbone interact. energy: -2.006
local terms energy: -365.959361
where:
bonds (distance) C4'-P energy: -61.452
bonds (distance) P-C4' energy: -69.225
flat angles C4'-P-C4' energy: -85.624
flat angles P-C4'-P energy: -49.626
tors. eta vs tors. theta energy: -100.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 559
Temperature: 1.150000
Total energy: -1048.009809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.009809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.009809 (E_RNA)
where:
Base-Base interactions energy: -709.955
where: short stacking energy: -299.907
Base-Backbone interact. energy: -1.437
local terms energy: -336.617619
where:
bonds (distance) C4'-P energy: -54.041
bonds (distance) P-C4' energy: -73.919
flat angles C4'-P-C4' energy: -77.750
flat angles P-C4'-P energy: -41.990
tors. eta vs tors. theta energy: -88.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 559
Temperature: 1.200000
Total energy: -861.404559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.404559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.404559 (E_RNA)
where:
Base-Base interactions energy: -562.010
where: short stacking energy: -235.048
Base-Backbone interact. energy: 0.327
local terms energy: -299.721570
where:
bonds (distance) C4'-P energy: -75.124
bonds (distance) P-C4' energy: -66.798
flat angles C4'-P-C4' energy: -62.095
flat angles P-C4'-P energy: -42.897
tors. eta vs tors. theta energy: -52.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 559
Temperature: 1.250000
Total energy: -589.148205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.148205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.148205 (E_RNA)
where:
Base-Base interactions energy: -320.391
where: short stacking energy: -164.674
Base-Backbone interact. energy: -1.130
local terms energy: -267.626881
where:
bonds (distance) C4'-P energy: -67.315
bonds (distance) P-C4' energy: -77.527
flat angles C4'-P-C4' energy: -55.503
flat angles P-C4'-P energy: -38.458
tors. eta vs tors. theta energy: -28.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 559
Temperature: 1.300000
Total energy: -348.599431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.599431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.599431 (E_RNA)
where:
Base-Base interactions energy: -123.498
where: short stacking energy: -91.198
Base-Backbone interact. energy: 0.007
local terms energy: -225.109133
where:
bonds (distance) C4'-P energy: -58.421
bonds (distance) P-C4' energy: -75.477
flat angles C4'-P-C4' energy: -71.072
flat angles P-C4'-P energy: -26.103
tors. eta vs tors. theta energy: 5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 559
Temperature: 1.350000
Total energy: -323.801913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.801913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.801913 (E_RNA)
where:
Base-Base interactions energy: -107.789
where: short stacking energy: -90.041
Base-Backbone interact. energy: -0.466
local terms energy: -215.547603
where:
bonds (distance) C4'-P energy: -56.998
bonds (distance) P-C4' energy: -75.963
flat angles C4'-P-C4' energy: -51.451
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: 3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 560
Temperature: 0.900000
Total energy: -1407.927607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.927607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.927607 (E_RNA)
where:
Base-Base interactions energy: -962.522
where: short stacking energy: -412.576
Base-Backbone interact. energy: -1.218
local terms energy: -444.187842
where:
bonds (distance) C4'-P energy: -73.459
bonds (distance) P-C4' energy: -87.208
flat angles C4'-P-C4' energy: -90.650
flat angles P-C4'-P energy: -63.507
tors. eta vs tors. theta energy: -129.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 560
Temperature: 0.950000
Total energy: -1373.556811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.556811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.556811 (E_RNA)
where:
Base-Base interactions energy: -940.766
where: short stacking energy: -385.655
Base-Backbone interact. energy: -1.322
local terms energy: -431.468878
where:
bonds (distance) C4'-P energy: -81.715
bonds (distance) P-C4' energy: -72.232
flat angles C4'-P-C4' energy: -95.078
flat angles P-C4'-P energy: -64.245
tors. eta vs tors. theta energy: -118.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 560
Temperature: 1.000000
Total energy: -1317.488783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.488783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.488783 (E_RNA)
where:
Base-Base interactions energy: -909.290
where: short stacking energy: -355.686
Base-Backbone interact. energy: 2.349
local terms energy: -410.546937
where:
bonds (distance) C4'-P energy: -67.409
bonds (distance) P-C4' energy: -87.996
flat angles C4'-P-C4' energy: -82.890
flat angles P-C4'-P energy: -54.483
tors. eta vs tors. theta energy: -117.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 560
Temperature: 1.050000
Total energy: -1210.165559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.165559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.165559 (E_RNA)
where:
Base-Base interactions energy: -817.358
where: short stacking energy: -331.793
Base-Backbone interact. energy: -1.116
local terms energy: -391.691449
where:
bonds (distance) C4'-P energy: -74.036
bonds (distance) P-C4' energy: -73.020
flat angles C4'-P-C4' energy: -85.550
flat angles P-C4'-P energy: -53.769
tors. eta vs tors. theta energy: -105.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 560
Temperature: 1.100000
Total energy: -1119.137377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.137377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.137377 (E_RNA)
where:
Base-Base interactions energy: -738.840
where: short stacking energy: -309.351
Base-Backbone interact. energy: -3.412
local terms energy: -376.885752
where:
bonds (distance) C4'-P energy: -64.372
bonds (distance) P-C4' energy: -75.154
flat angles C4'-P-C4' energy: -86.821
flat angles P-C4'-P energy: -49.928
tors. eta vs tors. theta energy: -100.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 560
Temperature: 1.150000
Total energy: -1031.171051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.171051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.171051 (E_RNA)
where:
Base-Base interactions energy: -696.845
where: short stacking energy: -274.260
Base-Backbone interact. energy: 3.320
local terms energy: -337.645674
where:
bonds (distance) C4'-P energy: -66.556
bonds (distance) P-C4' energy: -73.198
flat angles C4'-P-C4' energy: -85.066
flat angles P-C4'-P energy: -43.954
tors. eta vs tors. theta energy: -68.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 560
Temperature: 1.200000
Total energy: -854.061553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.061553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.061553 (E_RNA)
where:
Base-Base interactions energy: -533.063
where: short stacking energy: -236.132
Base-Backbone interact. energy: -1.277
local terms energy: -319.722007
where:
bonds (distance) C4'-P energy: -63.417
bonds (distance) P-C4' energy: -79.212
flat angles C4'-P-C4' energy: -74.704
flat angles P-C4'-P energy: -52.174
tors. eta vs tors. theta energy: -50.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 560
Temperature: 1.250000
Total energy: -594.256432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.256432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.256432 (E_RNA)
where:
Base-Base interactions energy: -341.771
where: short stacking energy: -185.248
Base-Backbone interact. energy: -3.505
local terms energy: -248.980713
where:
bonds (distance) C4'-P energy: -65.029
bonds (distance) P-C4' energy: -63.117
flat angles C4'-P-C4' energy: -53.391
flat angles P-C4'-P energy: -31.780
tors. eta vs tors. theta energy: -35.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 560
Temperature: 1.300000
Total energy: -378.633551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.633551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.633551 (E_RNA)
where:
Base-Base interactions energy: -169.644
where: short stacking energy: -113.293
Base-Backbone interact. energy: 0.744
local terms energy: -209.733941
where:
bonds (distance) C4'-P energy: -69.664
bonds (distance) P-C4' energy: -74.253
flat angles C4'-P-C4' energy: -59.326
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: 10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 560
Temperature: 1.350000
Total energy: -330.456134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.456134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.456134 (E_RNA)
where:
Base-Base interactions energy: -126.682
where: short stacking energy: -92.334
Base-Backbone interact. energy: -2.690
local terms energy: -201.083879
where:
bonds (distance) C4'-P energy: -59.728
bonds (distance) P-C4' energy: -63.435
flat angles C4'-P-C4' energy: -63.457
flat angles P-C4'-P energy: -36.332
tors. eta vs tors. theta energy: 21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 561
Temperature: 0.900000
Total energy: -1391.394937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.394937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.394937 (E_RNA)
where:
Base-Base interactions energy: -932.896
where: short stacking energy: -385.305
Base-Backbone interact. energy: -1.643
local terms energy: -456.856672
where:
bonds (distance) C4'-P energy: -79.849
bonds (distance) P-C4' energy: -86.734
flat angles C4'-P-C4' energy: -100.363
flat angles P-C4'-P energy: -62.512
tors. eta vs tors. theta energy: -127.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 561
Temperature: 0.950000
Total energy: -1355.001020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.001020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.001020 (E_RNA)
where:
Base-Base interactions energy: -952.025
where: short stacking energy: -383.364
Base-Backbone interact. energy: 0.044
local terms energy: -403.020274
where:
bonds (distance) C4'-P energy: -70.570
bonds (distance) P-C4' energy: -72.624
flat angles C4'-P-C4' energy: -89.721
flat angles P-C4'-P energy: -53.324
tors. eta vs tors. theta energy: -116.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 561
Temperature: 1.000000
Total energy: -1323.330831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.330831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.330831 (E_RNA)
where:
Base-Base interactions energy: -908.338
where: short stacking energy: -371.189
Base-Backbone interact. energy: -1.069
local terms energy: -413.923765
where:
bonds (distance) C4'-P energy: -79.004
bonds (distance) P-C4' energy: -80.333
flat angles C4'-P-C4' energy: -80.865
flat angles P-C4'-P energy: -52.366
tors. eta vs tors. theta energy: -121.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 561
Temperature: 1.050000
Total energy: -1214.358533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.358533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.358533 (E_RNA)
where:
Base-Base interactions energy: -836.402
where: short stacking energy: -342.288
Base-Backbone interact. energy: -0.805
local terms energy: -377.151388
where:
bonds (distance) C4'-P energy: -74.854
bonds (distance) P-C4' energy: -64.875
flat angles C4'-P-C4' energy: -71.395
flat angles P-C4'-P energy: -57.417
tors. eta vs tors. theta energy: -108.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 561
Temperature: 1.100000
Total energy: -1118.785708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.785708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.785708 (E_RNA)
where:
Base-Base interactions energy: -738.683
where: short stacking energy: -328.473
Base-Backbone interact. energy: -0.358
local terms energy: -379.745428
where:
bonds (distance) C4'-P energy: -73.362
bonds (distance) P-C4' energy: -77.850
flat angles C4'-P-C4' energy: -74.294
flat angles P-C4'-P energy: -49.081
tors. eta vs tors. theta energy: -105.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 561
Temperature: 1.150000
Total energy: -1035.298683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.298683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.298683 (E_RNA)
where:
Base-Base interactions energy: -698.897
where: short stacking energy: -281.999
Base-Backbone interact. energy: -3.423
local terms energy: -332.978916
where:
bonds (distance) C4'-P energy: -63.356
bonds (distance) P-C4' energy: -71.493
flat angles C4'-P-C4' energy: -76.059
flat angles P-C4'-P energy: -51.732
tors. eta vs tors. theta energy: -70.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 561
Temperature: 1.200000
Total energy: -926.065979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.065979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.065979 (E_RNA)
where:
Base-Base interactions energy: -571.347
where: short stacking energy: -263.882
Base-Backbone interact. energy: -1.194
local terms energy: -353.525720
where:
bonds (distance) C4'-P energy: -81.444
bonds (distance) P-C4' energy: -79.317
flat angles C4'-P-C4' energy: -76.031
flat angles P-C4'-P energy: -50.416
tors. eta vs tors. theta energy: -66.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 561
Temperature: 1.250000
Total energy: -574.725862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.725862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.725862 (E_RNA)
where:
Base-Base interactions energy: -293.659
where: short stacking energy: -137.954
Base-Backbone interact. energy: -0.231
local terms energy: -280.835583
where:
bonds (distance) C4'-P energy: -64.456
bonds (distance) P-C4' energy: -78.266
flat angles C4'-P-C4' energy: -58.083
flat angles P-C4'-P energy: -60.582
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 561
Temperature: 1.300000
Total energy: -339.245567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.245567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.245567 (E_RNA)
where:
Base-Base interactions energy: -139.899
where: short stacking energy: -111.769
Base-Backbone interact. energy: -1.586
local terms energy: -197.760277
where:
bonds (distance) C4'-P energy: -50.990
bonds (distance) P-C4' energy: -63.840
flat angles C4'-P-C4' energy: -52.808
flat angles P-C4'-P energy: -26.280
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 561
Temperature: 1.350000
Total energy: -346.688849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.688849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.688849 (E_RNA)
where:
Base-Base interactions energy: -121.585
where: short stacking energy: -91.321
Base-Backbone interact. energy: -2.120
local terms energy: -222.984687
where:
bonds (distance) C4'-P energy: -61.977
bonds (distance) P-C4' energy: -74.954
flat angles C4'-P-C4' energy: -61.447
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: 1.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 562
Temperature: 0.900000
Total energy: -1391.381084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.381084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.381084 (E_RNA)
where:
Base-Base interactions energy: -954.164
where: short stacking energy: -427.576
Base-Backbone interact. energy: -0.834
local terms energy: -436.383590
where:
bonds (distance) C4'-P energy: -72.738
bonds (distance) P-C4' energy: -71.923
flat angles C4'-P-C4' energy: -99.646
flat angles P-C4'-P energy: -64.902
tors. eta vs tors. theta energy: -127.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 562
Temperature: 0.950000
Total energy: -1343.907901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.907901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.907901 (E_RNA)
where:
Base-Base interactions energy: -929.834
where: short stacking energy: -378.158
Base-Backbone interact. energy: -1.446
local terms energy: -412.627747
where:
bonds (distance) C4'-P energy: -78.550
bonds (distance) P-C4' energy: -80.318
flat angles C4'-P-C4' energy: -90.177
flat angles P-C4'-P energy: -42.603
tors. eta vs tors. theta energy: -120.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 562
Temperature: 1.000000
Total energy: -1269.572982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.572982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.572982 (E_RNA)
where:
Base-Base interactions energy: -862.321
where: short stacking energy: -363.623
Base-Backbone interact. energy: 0.037
local terms energy: -407.289542
where:
bonds (distance) C4'-P energy: -73.044
bonds (distance) P-C4' energy: -71.445
flat angles C4'-P-C4' energy: -87.998
flat angles P-C4'-P energy: -66.612
tors. eta vs tors. theta energy: -108.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 562
Temperature: 1.050000
Total energy: -1285.071503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.071503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.071503 (E_RNA)
where:
Base-Base interactions energy: -886.604
where: short stacking energy: -370.443
Base-Backbone interact. energy: -1.037
local terms energy: -397.431260
where:
bonds (distance) C4'-P energy: -71.425
bonds (distance) P-C4' energy: -84.917
flat angles C4'-P-C4' energy: -84.002
flat angles P-C4'-P energy: -49.693
tors. eta vs tors. theta energy: -107.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 562
Temperature: 1.100000
Total energy: -1070.735023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.735023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.735023 (E_RNA)
where:
Base-Base interactions energy: -721.282
where: short stacking energy: -299.632
Base-Backbone interact. energy: -1.727
local terms energy: -347.726187
where:
bonds (distance) C4'-P energy: -73.964
bonds (distance) P-C4' energy: -74.636
flat angles C4'-P-C4' energy: -71.117
flat angles P-C4'-P energy: -49.123
tors. eta vs tors. theta energy: -78.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 562
Temperature: 1.150000
Total energy: -1067.490714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.490714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.490714 (E_RNA)
where:
Base-Base interactions energy: -713.793
where: short stacking energy: -313.638
Base-Backbone interact. energy: -1.109
local terms energy: -352.588533
where:
bonds (distance) C4'-P energy: -72.754
bonds (distance) P-C4' energy: -52.260
flat angles C4'-P-C4' energy: -84.272
flat angles P-C4'-P energy: -49.763
tors. eta vs tors. theta energy: -93.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 562
Temperature: 1.200000
Total energy: -900.220426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.220426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.220426 (E_RNA)
where:
Base-Base interactions energy: -563.518
where: short stacking energy: -265.536
Base-Backbone interact. energy: -1.137
local terms energy: -335.565198
where:
bonds (distance) C4'-P energy: -66.985
bonds (distance) P-C4' energy: -68.786
flat angles C4'-P-C4' energy: -64.611
flat angles P-C4'-P energy: -51.314
tors. eta vs tors. theta energy: -83.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 562
Temperature: 1.250000
Total energy: -571.502859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.502859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.502859 (E_RNA)
where:
Base-Base interactions energy: -294.938
where: short stacking energy: -159.518
Base-Backbone interact. energy: -1.310
local terms energy: -275.254866
where:
bonds (distance) C4'-P energy: -73.724
bonds (distance) P-C4' energy: -69.720
flat angles C4'-P-C4' energy: -69.754
flat angles P-C4'-P energy: -49.370
tors. eta vs tors. theta energy: -12.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 562
Temperature: 1.300000
Total energy: -373.387590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.387590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.387590 (E_RNA)
where:
Base-Base interactions energy: -155.642
where: short stacking energy: -107.155
Base-Backbone interact. energy: -2.060
local terms energy: -215.686018
where:
bonds (distance) C4'-P energy: -58.477
bonds (distance) P-C4' energy: -75.407
flat angles C4'-P-C4' energy: -59.895
flat angles P-C4'-P energy: -26.889
tors. eta vs tors. theta energy: 4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 562
Temperature: 1.350000
Total energy: -320.088785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.088785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.088785 (E_RNA)
where:
Base-Base interactions energy: -107.985
where: short stacking energy: -83.898
Base-Backbone interact. energy: -3.008
local terms energy: -209.095607
where:
bonds (distance) C4'-P energy: -65.015
bonds (distance) P-C4' energy: -75.816
flat angles C4'-P-C4' energy: -51.072
flat angles P-C4'-P energy: -32.811
tors. eta vs tors. theta energy: 15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 563
Temperature: 0.900000
Total energy: -1392.417990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.417990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.417990 (E_RNA)
where:
Base-Base interactions energy: -972.761
where: short stacking energy: -413.057
Base-Backbone interact. energy: -1.628
local terms energy: -418.028907
where:
bonds (distance) C4'-P energy: -58.056
bonds (distance) P-C4' energy: -79.631
flat angles C4'-P-C4' energy: -98.875
flat angles P-C4'-P energy: -62.226
tors. eta vs tors. theta energy: -119.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 563
Temperature: 0.950000
Total energy: -1345.176336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.176336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.176336 (E_RNA)
where:
Base-Base interactions energy: -920.689
where: short stacking energy: -387.115
Base-Backbone interact. energy: -1.992
local terms energy: -422.495264
where:
bonds (distance) C4'-P energy: -72.331
bonds (distance) P-C4' energy: -77.627
flat angles C4'-P-C4' energy: -86.617
flat angles P-C4'-P energy: -66.829
tors. eta vs tors. theta energy: -119.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 563
Temperature: 1.000000
Total energy: -1262.454694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.454694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.454694 (E_RNA)
where:
Base-Base interactions energy: -856.064
where: short stacking energy: -381.613
Base-Backbone interact. energy: 0.011
local terms energy: -406.401469
where:
bonds (distance) C4'-P energy: -72.758
bonds (distance) P-C4' energy: -71.802
flat angles C4'-P-C4' energy: -90.171
flat angles P-C4'-P energy: -57.977
tors. eta vs tors. theta energy: -113.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 563
Temperature: 1.050000
Total energy: -1296.784301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.784301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.784301 (E_RNA)
where:
Base-Base interactions energy: -883.755
where: short stacking energy: -357.305
Base-Backbone interact. energy: -1.563
local terms energy: -411.466480
where:
bonds (distance) C4'-P energy: -80.779
bonds (distance) P-C4' energy: -79.592
flat angles C4'-P-C4' energy: -81.084
flat angles P-C4'-P energy: -44.901
tors. eta vs tors. theta energy: -125.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 563
Temperature: 1.100000
Total energy: -1045.262366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.262366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.262366 (E_RNA)
where:
Base-Base interactions energy: -697.594
where: short stacking energy: -305.619
Base-Backbone interact. energy: -2.488
local terms energy: -345.180739
where:
bonds (distance) C4'-P energy: -73.834
bonds (distance) P-C4' energy: -56.216
flat angles C4'-P-C4' energy: -69.841
flat angles P-C4'-P energy: -49.744
tors. eta vs tors. theta energy: -95.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 563
Temperature: 1.150000
Total energy: -1055.532836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.532836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.532836 (E_RNA)
where:
Base-Base interactions energy: -697.333
where: short stacking energy: -302.626
Base-Backbone interact. energy: -0.904
local terms energy: -357.295241
where:
bonds (distance) C4'-P energy: -66.920
bonds (distance) P-C4' energy: -66.617
flat angles C4'-P-C4' energy: -75.667
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -105.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 563
Temperature: 1.200000
Total energy: -937.738913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.738913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.738913 (E_RNA)
where:
Base-Base interactions energy: -619.807
where: short stacking energy: -233.621
Base-Backbone interact. energy: -0.072
local terms energy: -317.860622
where:
bonds (distance) C4'-P energy: -82.126
bonds (distance) P-C4' energy: -64.334
flat angles C4'-P-C4' energy: -62.382
flat angles P-C4'-P energy: -44.304
tors. eta vs tors. theta energy: -64.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 563
Temperature: 1.250000
Total energy: -549.845565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.845565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.845565 (E_RNA)
where:
Base-Base interactions energy: -285.492
where: short stacking energy: -159.944
Base-Backbone interact. energy: -0.741
local terms energy: -263.612075
where:
bonds (distance) C4'-P energy: -62.054
bonds (distance) P-C4' energy: -66.632
flat angles C4'-P-C4' energy: -82.542
flat angles P-C4'-P energy: -39.173
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 563
Temperature: 1.300000
Total energy: -356.422814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.422814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.422814 (E_RNA)
where:
Base-Base interactions energy: -153.715
where: short stacking energy: -92.779
Base-Backbone interact. energy: -1.791
local terms energy: -200.916088
where:
bonds (distance) C4'-P energy: -53.135
bonds (distance) P-C4' energy: -83.641
flat angles C4'-P-C4' energy: -39.765
flat angles P-C4'-P energy: -47.299
tors. eta vs tors. theta energy: 22.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 563
Temperature: 1.350000
Total energy: -305.763748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.763748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.763748 (E_RNA)
where:
Base-Base interactions energy: -107.683
where: short stacking energy: -95.211
Base-Backbone interact. energy: 1.154
local terms energy: -199.235297
where:
bonds (distance) C4'-P energy: -71.238
bonds (distance) P-C4' energy: -63.409
flat angles C4'-P-C4' energy: -43.734
flat angles P-C4'-P energy: -27.374
tors. eta vs tors. theta energy: 6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 564
Temperature: 0.900000
Total energy: -1396.612119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.612119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.612119 (E_RNA)
where:
Base-Base interactions energy: -944.129
where: short stacking energy: -395.925
Base-Backbone interact. energy: -1.693
local terms energy: -450.789680
where:
bonds (distance) C4'-P energy: -81.101
bonds (distance) P-C4' energy: -83.010
flat angles C4'-P-C4' energy: -95.100
flat angles P-C4'-P energy: -67.148
tors. eta vs tors. theta energy: -124.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 564
Temperature: 0.950000
Total energy: -1361.254786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.254786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.254786 (E_RNA)
where:
Base-Base interactions energy: -935.689
where: short stacking energy: -367.954
Base-Backbone interact. energy: 0.708
local terms energy: -426.273836
where:
bonds (distance) C4'-P energy: -73.726
bonds (distance) P-C4' energy: -79.592
flat angles C4'-P-C4' energy: -99.258
flat angles P-C4'-P energy: -56.870
tors. eta vs tors. theta energy: -116.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 564
Temperature: 1.000000
Total energy: -1327.214106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.214106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.214106 (E_RNA)
where:
Base-Base interactions energy: -935.496
where: short stacking energy: -385.851
Base-Backbone interact. energy: -0.173
local terms energy: -391.544820
where:
bonds (distance) C4'-P energy: -69.142
bonds (distance) P-C4' energy: -67.678
flat angles C4'-P-C4' energy: -83.918
flat angles P-C4'-P energy: -50.947
tors. eta vs tors. theta energy: -119.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 564
Temperature: 1.050000
Total energy: -1219.731712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.731712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.731712 (E_RNA)
where:
Base-Base interactions energy: -835.372
where: short stacking energy: -364.258
Base-Backbone interact. energy: -1.641
local terms energy: -382.719154
where:
bonds (distance) C4'-P energy: -64.233
bonds (distance) P-C4' energy: -69.153
flat angles C4'-P-C4' energy: -84.842
flat angles P-C4'-P energy: -55.689
tors. eta vs tors. theta energy: -108.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 564
Temperature: 1.100000
Total energy: -1125.374087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.374087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.374087 (E_RNA)
where:
Base-Base interactions energy: -731.265
where: short stacking energy: -320.028
Base-Backbone interact. energy: 0.425
local terms energy: -394.533907
where:
bonds (distance) C4'-P energy: -73.678
bonds (distance) P-C4' energy: -80.948
flat angles C4'-P-C4' energy: -81.185
flat angles P-C4'-P energy: -58.653
tors. eta vs tors. theta energy: -100.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 564
Temperature: 1.150000
Total energy: -1038.122018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.122018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.122018 (E_RNA)
where:
Base-Base interactions energy: -685.602
where: short stacking energy: -292.693
Base-Backbone interact. energy: -2.153
local terms energy: -350.366984
where:
bonds (distance) C4'-P energy: -66.300
bonds (distance) P-C4' energy: -73.414
flat angles C4'-P-C4' energy: -79.424
flat angles P-C4'-P energy: -59.022
tors. eta vs tors. theta energy: -72.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 564
Temperature: 1.200000
Total energy: -909.021789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.021789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.021789 (E_RNA)
where:
Base-Base interactions energy: -596.408
where: short stacking energy: -247.229
Base-Backbone interact. energy: -1.368
local terms energy: -311.245821
where:
bonds (distance) C4'-P energy: -73.927
bonds (distance) P-C4' energy: -80.490
flat angles C4'-P-C4' energy: -50.769
flat angles P-C4'-P energy: -48.531
tors. eta vs tors. theta energy: -57.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 564
Temperature: 1.250000
Total energy: -570.877761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.877761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.877761 (E_RNA)
where:
Base-Base interactions energy: -316.745
where: short stacking energy: -175.535
Base-Backbone interact. energy: -0.873
local terms energy: -253.259824
where:
bonds (distance) C4'-P energy: -61.434
bonds (distance) P-C4' energy: -66.298
flat angles C4'-P-C4' energy: -72.528
flat angles P-C4'-P energy: -30.631
tors. eta vs tors. theta energy: -22.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 564
Temperature: 1.300000
Total energy: -360.771466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.771466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.771466 (E_RNA)
where:
Base-Base interactions energy: -137.131
where: short stacking energy: -97.519
Base-Backbone interact. energy: -1.964
local terms energy: -221.676310
where:
bonds (distance) C4'-P energy: -68.659
bonds (distance) P-C4' energy: -64.312
flat angles C4'-P-C4' energy: -60.399
flat angles P-C4'-P energy: -33.165
tors. eta vs tors. theta energy: 4.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 564
Temperature: 1.350000
Total energy: -304.921234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.921234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.921234 (E_RNA)
where:
Base-Base interactions energy: -139.858
where: short stacking energy: -103.111
Base-Backbone interact. energy: 4.541
local terms energy: -169.604639
where:
bonds (distance) C4'-P energy: -55.373
bonds (distance) P-C4' energy: -64.646
flat angles C4'-P-C4' energy: -51.785
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: 21.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 565
Temperature: 0.900000
Total energy: -1415.186967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.186967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.186967 (E_RNA)
where:
Base-Base interactions energy: -975.481
where: short stacking energy: -409.630
Base-Backbone interact. energy: -0.793
local terms energy: -438.912991
where:
bonds (distance) C4'-P energy: -83.006
bonds (distance) P-C4' energy: -81.959
flat angles C4'-P-C4' energy: -87.436
flat angles P-C4'-P energy: -63.228
tors. eta vs tors. theta energy: -123.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 565
Temperature: 0.950000
Total energy: -1345.475098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.475098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.475098 (E_RNA)
where:
Base-Base interactions energy: -939.779
where: short stacking energy: -381.255
Base-Backbone interact. energy: 1.459
local terms energy: -407.154971
where:
bonds (distance) C4'-P energy: -79.594
bonds (distance) P-C4' energy: -68.014
flat angles C4'-P-C4' energy: -89.101
flat angles P-C4'-P energy: -54.730
tors. eta vs tors. theta energy: -115.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 565
Temperature: 1.000000
Total energy: -1316.466536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.466536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.466536 (E_RNA)
where:
Base-Base interactions energy: -902.342
where: short stacking energy: -375.964
Base-Backbone interact. energy: 1.018
local terms energy: -415.142453
where:
bonds (distance) C4'-P energy: -74.386
bonds (distance) P-C4' energy: -80.192
flat angles C4'-P-C4' energy: -90.204
flat angles P-C4'-P energy: -47.223
tors. eta vs tors. theta energy: -123.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 565
Temperature: 1.050000
Total energy: -1209.561503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.561503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.561503 (E_RNA)
where:
Base-Base interactions energy: -796.710
where: short stacking energy: -340.163
Base-Backbone interact. energy: -0.771
local terms energy: -412.080438
where:
bonds (distance) C4'-P energy: -74.092
bonds (distance) P-C4' energy: -84.384
flat angles C4'-P-C4' energy: -88.250
flat angles P-C4'-P energy: -56.556
tors. eta vs tors. theta energy: -108.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 565
Temperature: 1.100000
Total energy: -1105.303409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.303409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.303409 (E_RNA)
where:
Base-Base interactions energy: -740.659
where: short stacking energy: -312.399
Base-Backbone interact. energy: -0.550
local terms energy: -364.094072
where:
bonds (distance) C4'-P energy: -59.249
bonds (distance) P-C4' energy: -70.993
flat angles C4'-P-C4' energy: -83.061
flat angles P-C4'-P energy: -52.414
tors. eta vs tors. theta energy: -98.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 565
Temperature: 1.150000
Total energy: -1046.326516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.326516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.326516 (E_RNA)
where:
Base-Base interactions energy: -721.281
where: short stacking energy: -293.513
Base-Backbone interact. energy: -1.907
local terms energy: -323.138623
where:
bonds (distance) C4'-P energy: -60.465
bonds (distance) P-C4' energy: -58.063
flat angles C4'-P-C4' energy: -78.896
flat angles P-C4'-P energy: -47.093
tors. eta vs tors. theta energy: -78.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 565
Temperature: 1.200000
Total energy: -962.207685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.207685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.207685 (E_RNA)
where:
Base-Base interactions energy: -627.549
where: short stacking energy: -272.347
Base-Backbone interact. energy: -1.932
local terms energy: -332.726595
where:
bonds (distance) C4'-P energy: -64.368
bonds (distance) P-C4' energy: -69.647
flat angles C4'-P-C4' energy: -82.223
flat angles P-C4'-P energy: -46.262
tors. eta vs tors. theta energy: -70.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 565
Temperature: 1.250000
Total energy: -554.027843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.027843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.027843 (E_RNA)
where:
Base-Base interactions energy: -306.535
where: short stacking energy: -164.458
Base-Backbone interact. energy: 0.249
local terms energy: -247.741910
where:
bonds (distance) C4'-P energy: -66.409
bonds (distance) P-C4' energy: -58.782
flat angles C4'-P-C4' energy: -69.999
flat angles P-C4'-P energy: -46.635
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 565
Temperature: 1.300000
Total energy: -348.340208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.340208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.340208 (E_RNA)
where:
Base-Base interactions energy: -103.093
where: short stacking energy: -89.435
Base-Backbone interact. energy: -1.131
local terms energy: -244.115560
where:
bonds (distance) C4'-P energy: -74.011
bonds (distance) P-C4' energy: -75.388
flat angles C4'-P-C4' energy: -61.697
flat angles P-C4'-P energy: -33.961
tors. eta vs tors. theta energy: 0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 565
Temperature: 1.350000
Total energy: -312.115474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.115474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.115474 (E_RNA)
where:
Base-Base interactions energy: -107.167
where: short stacking energy: -98.185
Base-Backbone interact. energy: 0.620
local terms energy: -205.569194
where:
bonds (distance) C4'-P energy: -63.872
bonds (distance) P-C4' energy: -75.989
flat angles C4'-P-C4' energy: -48.533
flat angles P-C4'-P energy: -32.240
tors. eta vs tors. theta energy: 15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 566
Temperature: 0.900000
Total energy: -1395.500913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.500913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.500913 (E_RNA)
where:
Base-Base interactions energy: -954.369
where: short stacking energy: -399.498
Base-Backbone interact. energy: -1.760
local terms energy: -439.371400
where:
bonds (distance) C4'-P energy: -84.710
bonds (distance) P-C4' energy: -82.081
flat angles C4'-P-C4' energy: -91.268
flat angles P-C4'-P energy: -58.346
tors. eta vs tors. theta energy: -122.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 566
Temperature: 0.950000
Total energy: -1344.043633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.043633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.043633 (E_RNA)
where:
Base-Base interactions energy: -932.550
where: short stacking energy: -383.286
Base-Backbone interact. energy: -0.409
local terms energy: -411.084374
where:
bonds (distance) C4'-P energy: -77.228
bonds (distance) P-C4' energy: -79.900
flat angles C4'-P-C4' energy: -83.492
flat angles P-C4'-P energy: -56.755
tors. eta vs tors. theta energy: -113.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 566
Temperature: 1.000000
Total energy: -1336.046160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.046160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.046160 (E_RNA)
where:
Base-Base interactions energy: -920.014
where: short stacking energy: -387.677
Base-Backbone interact. energy: -0.011
local terms energy: -416.020768
where:
bonds (distance) C4'-P energy: -74.670
bonds (distance) P-C4' energy: -80.209
flat angles C4'-P-C4' energy: -81.741
flat angles P-C4'-P energy: -56.293
tors. eta vs tors. theta energy: -123.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 566
Temperature: 1.050000
Total energy: -1201.567702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.567702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.567702 (E_RNA)
where:
Base-Base interactions energy: -834.225
where: short stacking energy: -370.175
Base-Backbone interact. energy: -0.481
local terms energy: -366.862038
where:
bonds (distance) C4'-P energy: -58.606
bonds (distance) P-C4' energy: -70.686
flat angles C4'-P-C4' energy: -82.061
flat angles P-C4'-P energy: -38.313
tors. eta vs tors. theta energy: -117.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 566
Temperature: 1.100000
Total energy: -1115.079330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.079330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.079330 (E_RNA)
where:
Base-Base interactions energy: -746.648
where: short stacking energy: -324.607
Base-Backbone interact. energy: -0.521
local terms energy: -367.910807
where:
bonds (distance) C4'-P energy: -73.335
bonds (distance) P-C4' energy: -63.813
flat angles C4'-P-C4' energy: -78.857
flat angles P-C4'-P energy: -56.791
tors. eta vs tors. theta energy: -95.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 566
Temperature: 1.150000
Total energy: -1045.620094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.620094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.620094 (E_RNA)
where:
Base-Base interactions energy: -682.871
where: short stacking energy: -280.494
Base-Backbone interact. energy: -1.416
local terms energy: -361.333417
where:
bonds (distance) C4'-P energy: -68.927
bonds (distance) P-C4' energy: -74.982
flat angles C4'-P-C4' energy: -77.574
flat angles P-C4'-P energy: -55.794
tors. eta vs tors. theta energy: -84.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 566
Temperature: 1.200000
Total energy: -912.577906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.577906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.577906 (E_RNA)
where:
Base-Base interactions energy: -605.559
where: short stacking energy: -276.832
Base-Backbone interact. energy: 1.012
local terms energy: -308.031132
where:
bonds (distance) C4'-P energy: -70.981
bonds (distance) P-C4' energy: -68.287
flat angles C4'-P-C4' energy: -62.203
flat angles P-C4'-P energy: -48.005
tors. eta vs tors. theta energy: -58.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 566
Temperature: 1.250000
Total energy: -556.703108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.703108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.703108 (E_RNA)
where:
Base-Base interactions energy: -288.668
where: short stacking energy: -148.297
Base-Backbone interact. energy: -0.853
local terms energy: -267.182750
where:
bonds (distance) C4'-P energy: -68.113
bonds (distance) P-C4' energy: -82.665
flat angles C4'-P-C4' energy: -71.851
flat angles P-C4'-P energy: -29.007
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 566
Temperature: 1.300000
Total energy: -330.575737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.575737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.575737 (E_RNA)
where:
Base-Base interactions energy: -96.435
where: short stacking energy: -92.346
Base-Backbone interact. energy: -1.070
local terms energy: -233.070678
where:
bonds (distance) C4'-P energy: -66.115
bonds (distance) P-C4' energy: -70.208
flat angles C4'-P-C4' energy: -63.034
flat angles P-C4'-P energy: -33.017
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 566
Temperature: 1.350000
Total energy: -309.768638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.768638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.768638 (E_RNA)
where:
Base-Base interactions energy: -113.426
where: short stacking energy: -89.143
Base-Backbone interact. energy: -0.411
local terms energy: -195.931797
where:
bonds (distance) C4'-P energy: -60.417
bonds (distance) P-C4' energy: -62.012
flat angles C4'-P-C4' energy: -49.912
flat angles P-C4'-P energy: -38.857
tors. eta vs tors. theta energy: 15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 567
Temperature: 0.900000
Total energy: -1385.883593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.883593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.883593 (E_RNA)
where:
Base-Base interactions energy: -951.618
where: short stacking energy: -414.495
Base-Backbone interact. energy: -2.060
local terms energy: -432.206008
where:
bonds (distance) C4'-P energy: -71.666
bonds (distance) P-C4' energy: -76.071
flat angles C4'-P-C4' energy: -99.969
flat angles P-C4'-P energy: -57.687
tors. eta vs tors. theta energy: -126.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 567
Temperature: 0.950000
Total energy: -1351.846328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.846328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.846328 (E_RNA)
where:
Base-Base interactions energy: -900.656
where: short stacking energy: -381.162
Base-Backbone interact. energy: -3.461
local terms energy: -447.728849
where:
bonds (distance) C4'-P energy: -84.907
bonds (distance) P-C4' energy: -88.461
flat angles C4'-P-C4' energy: -92.801
flat angles P-C4'-P energy: -62.825
tors. eta vs tors. theta energy: -118.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 567
Temperature: 1.000000
Total energy: -1337.466925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.466925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.466925 (E_RNA)
where:
Base-Base interactions energy: -924.834
where: short stacking energy: -391.894
Base-Backbone interact. energy: -1.561
local terms energy: -411.071709
where:
bonds (distance) C4'-P energy: -69.962
bonds (distance) P-C4' energy: -76.638
flat angles C4'-P-C4' energy: -83.448
flat angles P-C4'-P energy: -57.166
tors. eta vs tors. theta energy: -123.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 567
Temperature: 1.050000
Total energy: -1235.174872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.174872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.174872 (E_RNA)
where:
Base-Base interactions energy: -829.865
where: short stacking energy: -363.658
Base-Backbone interact. energy: -3.652
local terms energy: -401.658109
where:
bonds (distance) C4'-P energy: -77.375
bonds (distance) P-C4' energy: -68.527
flat angles C4'-P-C4' energy: -87.258
flat angles P-C4'-P energy: -63.533
tors. eta vs tors. theta energy: -104.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 567
Temperature: 1.100000
Total energy: -1129.641243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.641243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.641243 (E_RNA)
where:
Base-Base interactions energy: -750.149
where: short stacking energy: -322.162
Base-Backbone interact. energy: -2.372
local terms energy: -377.119666
where:
bonds (distance) C4'-P energy: -72.626
bonds (distance) P-C4' energy: -74.180
flat angles C4'-P-C4' energy: -77.442
flat angles P-C4'-P energy: -54.326
tors. eta vs tors. theta energy: -98.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 567
Temperature: 1.150000
Total energy: -1006.324924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.324924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.324924 (E_RNA)
where:
Base-Base interactions energy: -647.582
where: short stacking energy: -265.310
Base-Backbone interact. energy: -1.569
local terms energy: -357.173473
where:
bonds (distance) C4'-P energy: -67.061
bonds (distance) P-C4' energy: -81.902
flat angles C4'-P-C4' energy: -79.196
flat angles P-C4'-P energy: -54.415
tors. eta vs tors. theta energy: -74.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 567
Temperature: 1.200000
Total energy: -906.131420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.131420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.131420 (E_RNA)
where:
Base-Base interactions energy: -585.554
where: short stacking energy: -248.604
Base-Backbone interact. energy: -1.280
local terms energy: -319.298267
where:
bonds (distance) C4'-P energy: -69.009
bonds (distance) P-C4' energy: -68.740
flat angles C4'-P-C4' energy: -74.797
flat angles P-C4'-P energy: -50.807
tors. eta vs tors. theta energy: -55.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 567
Temperature: 1.250000
Total energy: -554.203996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.203996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.203996 (E_RNA)
where:
Base-Base interactions energy: -291.557
where: short stacking energy: -136.758
Base-Backbone interact. energy: -1.045
local terms energy: -261.601484
where:
bonds (distance) C4'-P energy: -68.333
bonds (distance) P-C4' energy: -73.639
flat angles C4'-P-C4' energy: -67.850
flat angles P-C4'-P energy: -34.685
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 567
Temperature: 1.300000
Total energy: -369.938343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.938343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.938343 (E_RNA)
where:
Base-Base interactions energy: -145.893
where: short stacking energy: -87.757
Base-Backbone interact. energy: 3.580
local terms energy: -227.624705
where:
bonds (distance) C4'-P energy: -61.484
bonds (distance) P-C4' energy: -85.187
flat angles C4'-P-C4' energy: -62.012
flat angles P-C4'-P energy: -27.363
tors. eta vs tors. theta energy: 8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 567
Temperature: 1.350000
Total energy: -322.739146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.739146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.739146 (E_RNA)
where:
Base-Base interactions energy: -92.247
where: short stacking energy: -60.224
Base-Backbone interact. energy: -1.012
local terms energy: -229.480138
where:
bonds (distance) C4'-P energy: -60.028
bonds (distance) P-C4' energy: -83.866
flat angles C4'-P-C4' energy: -66.745
flat angles P-C4'-P energy: -37.483
tors. eta vs tors. theta energy: 18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 568
Temperature: 0.900000
Total energy: -1395.301408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.301408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.301408 (E_RNA)
where:
Base-Base interactions energy: -959.546
where: short stacking energy: -417.100
Base-Backbone interact. energy: -0.760
local terms energy: -434.994554
where:
bonds (distance) C4'-P energy: -80.013
bonds (distance) P-C4' energy: -81.975
flat angles C4'-P-C4' energy: -90.048
flat angles P-C4'-P energy: -52.869
tors. eta vs tors. theta energy: -130.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 568
Temperature: 0.950000
Total energy: -1333.134898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.134898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.134898 (E_RNA)
where:
Base-Base interactions energy: -907.286
where: short stacking energy: -381.572
Base-Backbone interact. energy: -1.762
local terms energy: -424.086921
where:
bonds (distance) C4'-P energy: -71.948
bonds (distance) P-C4' energy: -84.597
flat angles C4'-P-C4' energy: -83.905
flat angles P-C4'-P energy: -61.183
tors. eta vs tors. theta energy: -122.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 568
Temperature: 1.000000
Total energy: -1376.844697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.844697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.844697 (E_RNA)
where:
Base-Base interactions energy: -948.284
where: short stacking energy: -416.228
Base-Backbone interact. energy: 0.319
local terms energy: -428.878843
where:
bonds (distance) C4'-P energy: -74.573
bonds (distance) P-C4' energy: -74.764
flat angles C4'-P-C4' energy: -94.088
flat angles P-C4'-P energy: -56.720
tors. eta vs tors. theta energy: -128.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 568
Temperature: 1.050000
Total energy: -1211.815306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.815306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.815306 (E_RNA)
where:
Base-Base interactions energy: -822.115
where: short stacking energy: -350.388
Base-Backbone interact. energy: -0.295
local terms energy: -389.404630
where:
bonds (distance) C4'-P energy: -72.411
bonds (distance) P-C4' energy: -70.361
flat angles C4'-P-C4' energy: -86.894
flat angles P-C4'-P energy: -54.982
tors. eta vs tors. theta energy: -104.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 568
Temperature: 1.100000
Total energy: -1123.886983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.886983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.886983 (E_RNA)
where:
Base-Base interactions energy: -749.166
where: short stacking energy: -304.772
Base-Backbone interact. energy: 0.364
local terms energy: -375.084245
where:
bonds (distance) C4'-P energy: -70.070
bonds (distance) P-C4' energy: -72.731
flat angles C4'-P-C4' energy: -89.792
flat angles P-C4'-P energy: -42.469
tors. eta vs tors. theta energy: -100.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 568
Temperature: 1.150000
Total energy: -974.161972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.161972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.161972 (E_RNA)
where:
Base-Base interactions energy: -632.977
where: short stacking energy: -268.259
Base-Backbone interact. energy: -1.745
local terms energy: -339.439684
where:
bonds (distance) C4'-P energy: -63.512
bonds (distance) P-C4' energy: -75.579
flat angles C4'-P-C4' energy: -73.687
flat angles P-C4'-P energy: -55.433
tors. eta vs tors. theta energy: -71.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 568
Temperature: 1.200000
Total energy: -930.563961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.563961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.563961 (E_RNA)
where:
Base-Base interactions energy: -605.445
where: short stacking energy: -245.212
Base-Backbone interact. energy: 0.661
local terms energy: -325.779147
where:
bonds (distance) C4'-P energy: -75.297
bonds (distance) P-C4' energy: -58.718
flat angles C4'-P-C4' energy: -78.140
flat angles P-C4'-P energy: -51.816
tors. eta vs tors. theta energy: -61.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 568
Temperature: 1.250000
Total energy: -539.570504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.570504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.570504 (E_RNA)
where:
Base-Base interactions energy: -294.370
where: short stacking energy: -138.325
Base-Backbone interact. energy: 0.847
local terms energy: -246.047722
where:
bonds (distance) C4'-P energy: -65.513
bonds (distance) P-C4' energy: -72.693
flat angles C4'-P-C4' energy: -64.991
flat angles P-C4'-P energy: -39.229
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 568
Temperature: 1.300000
Total energy: -335.317756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.317756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.317756 (E_RNA)
where:
Base-Base interactions energy: -125.100
where: short stacking energy: -92.614
Base-Backbone interact. energy: -0.726
local terms energy: -209.491901
where:
bonds (distance) C4'-P energy: -67.453
bonds (distance) P-C4' energy: -75.674
flat angles C4'-P-C4' energy: -49.000
flat angles P-C4'-P energy: -34.810
tors. eta vs tors. theta energy: 17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 568
Temperature: 1.350000
Total energy: -318.483451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.483451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.483451 (E_RNA)
where:
Base-Base interactions energy: -125.419
where: short stacking energy: -87.049
Base-Backbone interact. energy: -2.141
local terms energy: -190.923811
where:
bonds (distance) C4'-P energy: -60.809
bonds (distance) P-C4' energy: -62.509
flat angles C4'-P-C4' energy: -55.133
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: 10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 569
Temperature: 0.900000
Total energy: -1375.750485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.750485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.750485 (E_RNA)
where:
Base-Base interactions energy: -953.856
where: short stacking energy: -393.129
Base-Backbone interact. energy: -2.203
local terms energy: -419.691766
where:
bonds (distance) C4'-P energy: -76.446
bonds (distance) P-C4' energy: -75.877
flat angles C4'-P-C4' energy: -88.328
flat angles P-C4'-P energy: -55.834
tors. eta vs tors. theta energy: -123.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 569
Temperature: 0.950000
Total energy: -1401.524502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.524502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.524502 (E_RNA)
where:
Base-Base interactions energy: -974.289
where: short stacking energy: -435.211
Base-Backbone interact. energy: 0.169
local terms energy: -427.404787
where:
bonds (distance) C4'-P energy: -81.694
bonds (distance) P-C4' energy: -71.230
flat angles C4'-P-C4' energy: -87.815
flat angles P-C4'-P energy: -56.282
tors. eta vs tors. theta energy: -130.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 569
Temperature: 1.000000
Total energy: -1306.249028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.249028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.249028 (E_RNA)
where:
Base-Base interactions energy: -905.256
where: short stacking energy: -369.040
Base-Backbone interact. energy: -2.349
local terms energy: -398.644163
where:
bonds (distance) C4'-P energy: -68.290
bonds (distance) P-C4' energy: -73.590
flat angles C4'-P-C4' energy: -84.481
flat angles P-C4'-P energy: -52.540
tors. eta vs tors. theta energy: -119.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 569
Temperature: 1.050000
Total energy: -1274.219605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.219605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.219605 (E_RNA)
where:
Base-Base interactions energy: -869.789
where: short stacking energy: -377.943
Base-Backbone interact. energy: -0.060
local terms energy: -404.371238
where:
bonds (distance) C4'-P energy: -81.338
bonds (distance) P-C4' energy: -68.768
flat angles C4'-P-C4' energy: -84.089
flat angles P-C4'-P energy: -61.192
tors. eta vs tors. theta energy: -108.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 569
Temperature: 1.100000
Total energy: -1098.331944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.331944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.331944 (E_RNA)
where:
Base-Base interactions energy: -721.331
where: short stacking energy: -323.545
Base-Backbone interact. energy: -0.613
local terms energy: -376.388405
where:
bonds (distance) C4'-P energy: -65.946
bonds (distance) P-C4' energy: -82.360
flat angles C4'-P-C4' energy: -80.649
flat angles P-C4'-P energy: -53.319
tors. eta vs tors. theta energy: -94.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 569
Temperature: 1.150000
Total energy: -1008.346268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.346268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.346268 (E_RNA)
where:
Base-Base interactions energy: -664.492
where: short stacking energy: -259.760
Base-Backbone interact. energy: -2.742
local terms energy: -341.112439
where:
bonds (distance) C4'-P energy: -80.330
bonds (distance) P-C4' energy: -74.480
flat angles C4'-P-C4' energy: -70.212
flat angles P-C4'-P energy: -61.474
tors. eta vs tors. theta energy: -54.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 569
Temperature: 1.200000
Total energy: -893.492720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.492720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.492720 (E_RNA)
where:
Base-Base interactions energy: -571.263
where: short stacking energy: -248.992
Base-Backbone interact. energy: -3.043
local terms energy: -319.186942
where:
bonds (distance) C4'-P energy: -61.313
bonds (distance) P-C4' energy: -71.782
flat angles C4'-P-C4' energy: -77.611
flat angles P-C4'-P energy: -47.740
tors. eta vs tors. theta energy: -60.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 569
Temperature: 1.250000
Total energy: -536.253717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.253717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.253717 (E_RNA)
where:
Base-Base interactions energy: -286.645
where: short stacking energy: -140.872
Base-Backbone interact. energy: -0.025
local terms energy: -249.583373
where:
bonds (distance) C4'-P energy: -59.350
bonds (distance) P-C4' energy: -79.174
flat angles C4'-P-C4' energy: -62.500
flat angles P-C4'-P energy: -39.259
tors. eta vs tors. theta energy: -9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 569
Temperature: 1.300000
Total energy: -342.889492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.889492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.889492 (E_RNA)
where:
Base-Base interactions energy: -98.434
where: short stacking energy: -100.118
Base-Backbone interact. energy: -1.169
local terms energy: -243.287162
where:
bonds (distance) C4'-P energy: -69.737
bonds (distance) P-C4' energy: -75.951
flat angles C4'-P-C4' energy: -62.522
flat angles P-C4'-P energy: -34.082
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 569
Temperature: 1.350000
Total energy: -323.537447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.537447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.537447 (E_RNA)
where:
Base-Base interactions energy: -140.332
where: short stacking energy: -104.587
Base-Backbone interact. energy: 7.620
local terms energy: -190.826122
where:
bonds (distance) C4'-P energy: -51.285
bonds (distance) P-C4' energy: -72.804
flat angles C4'-P-C4' energy: -66.475
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: 17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 570
Temperature: 0.900000
Total energy: -1397.583776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.583776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.583776 (E_RNA)
where:
Base-Base interactions energy: -949.539
where: short stacking energy: -382.323
Base-Backbone interact. energy: -4.984
local terms energy: -443.061604
where:
bonds (distance) C4'-P energy: -76.750
bonds (distance) P-C4' energy: -83.221
flat angles C4'-P-C4' energy: -91.514
flat angles P-C4'-P energy: -61.104
tors. eta vs tors. theta energy: -130.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 570
Temperature: 0.950000
Total energy: -1378.002980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.002980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.002980 (E_RNA)
where:
Base-Base interactions energy: -946.734
where: short stacking energy: -382.167
Base-Backbone interact. energy: -1.225
local terms energy: -430.043763
where:
bonds (distance) C4'-P energy: -74.172
bonds (distance) P-C4' energy: -85.399
flat angles C4'-P-C4' energy: -85.085
flat angles P-C4'-P energy: -59.406
tors. eta vs tors. theta energy: -125.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 570
Temperature: 1.000000
Total energy: -1297.650816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.650816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.650816 (E_RNA)
where:
Base-Base interactions energy: -871.813
where: short stacking energy: -362.410
Base-Backbone interact. energy: 1.146
local terms energy: -426.983742
where:
bonds (distance) C4'-P energy: -79.998
bonds (distance) P-C4' energy: -80.020
flat angles C4'-P-C4' energy: -95.217
flat angles P-C4'-P energy: -54.756
tors. eta vs tors. theta energy: -116.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 570
Temperature: 1.050000
Total energy: -1319.478561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.478561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.478561 (E_RNA)
where:
Base-Base interactions energy: -892.639
where: short stacking energy: -385.256
Base-Backbone interact. energy: 0.366
local terms energy: -427.205586
where:
bonds (distance) C4'-P energy: -72.273
bonds (distance) P-C4' energy: -75.663
flat angles C4'-P-C4' energy: -95.993
flat angles P-C4'-P energy: -66.154
tors. eta vs tors. theta energy: -117.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 570
Temperature: 1.100000
Total energy: -1097.314848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.314848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.314848 (E_RNA)
where:
Base-Base interactions energy: -731.703
where: short stacking energy: -297.662
Base-Backbone interact. energy: -0.599
local terms energy: -365.012736
where:
bonds (distance) C4'-P energy: -65.684
bonds (distance) P-C4' energy: -69.261
flat angles C4'-P-C4' energy: -78.713
flat angles P-C4'-P energy: -58.630
tors. eta vs tors. theta energy: -92.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 570
Temperature: 1.150000
Total energy: -1009.137628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.137628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.137628 (E_RNA)
where:
Base-Base interactions energy: -650.937
where: short stacking energy: -283.974
Base-Backbone interact. energy: -3.313
local terms energy: -354.887529
where:
bonds (distance) C4'-P energy: -74.553
bonds (distance) P-C4' energy: -86.932
flat angles C4'-P-C4' energy: -68.990
flat angles P-C4'-P energy: -46.406
tors. eta vs tors. theta energy: -78.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 570
Temperature: 1.200000
Total energy: -919.998589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.998589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.998589 (E_RNA)
where:
Base-Base interactions energy: -590.133
where: short stacking energy: -259.164
Base-Backbone interact. energy: -1.790
local terms energy: -328.075049
where:
bonds (distance) C4'-P energy: -78.286
bonds (distance) P-C4' energy: -65.283
flat angles C4'-P-C4' energy: -60.784
flat angles P-C4'-P energy: -51.619
tors. eta vs tors. theta energy: -72.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 570
Temperature: 1.250000
Total energy: -518.584236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.584236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.584236 (E_RNA)
where:
Base-Base interactions energy: -269.051
where: short stacking energy: -129.974
Base-Backbone interact. energy: -1.717
local terms energy: -247.816491
where:
bonds (distance) C4'-P energy: -68.860
bonds (distance) P-C4' energy: -75.632
flat angles C4'-P-C4' energy: -57.936
flat angles P-C4'-P energy: -38.500
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 570
Temperature: 1.300000
Total energy: -356.425652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.425652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.425652 (E_RNA)
where:
Base-Base interactions energy: -136.011
where: short stacking energy: -114.119
Base-Backbone interact. energy: 0.674
local terms energy: -221.088921
where:
bonds (distance) C4'-P energy: -72.337
bonds (distance) P-C4' energy: -56.300
flat angles C4'-P-C4' energy: -66.154
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: 5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 570
Temperature: 1.350000
Total energy: -319.768050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.768050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.768050 (E_RNA)
where:
Base-Base interactions energy: -116.752
where: short stacking energy: -101.187
Base-Backbone interact. energy: 3.605
local terms energy: -206.621086
where:
bonds (distance) C4'-P energy: -46.840
bonds (distance) P-C4' energy: -70.592
flat angles C4'-P-C4' energy: -62.383
flat angles P-C4'-P energy: -36.101
tors. eta vs tors. theta energy: 9.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 571
Temperature: 0.900000
Total energy: -1395.800487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.800487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.800487 (E_RNA)
where:
Base-Base interactions energy: -954.610
where: short stacking energy: -393.436
Base-Backbone interact. energy: -1.739
local terms energy: -439.450976
where:
bonds (distance) C4'-P energy: -77.035
bonds (distance) P-C4' energy: -76.228
flat angles C4'-P-C4' energy: -103.161
flat angles P-C4'-P energy: -58.477
tors. eta vs tors. theta energy: -124.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 571
Temperature: 0.950000
Total energy: -1373.401854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.401854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.401854 (E_RNA)
where:
Base-Base interactions energy: -940.454
where: short stacking energy: -386.843
Base-Backbone interact. energy: -1.424
local terms energy: -431.524043
where:
bonds (distance) C4'-P energy: -75.362
bonds (distance) P-C4' energy: -81.703
flat angles C4'-P-C4' energy: -91.989
flat angles P-C4'-P energy: -61.944
tors. eta vs tors. theta energy: -120.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 571
Temperature: 1.000000
Total energy: -1316.268025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.268025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.268025 (E_RNA)
where:
Base-Base interactions energy: -889.099
where: short stacking energy: -373.668
Base-Backbone interact. energy: -1.779
local terms energy: -425.389260
where:
bonds (distance) C4'-P energy: -78.061
bonds (distance) P-C4' energy: -70.313
flat angles C4'-P-C4' energy: -93.763
flat angles P-C4'-P energy: -62.025
tors. eta vs tors. theta energy: -121.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 571
Temperature: 1.050000
Total energy: -1272.694490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.694490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.694490 (E_RNA)
where:
Base-Base interactions energy: -878.997
where: short stacking energy: -375.621
Base-Backbone interact. energy: -0.252
local terms energy: -393.445808
where:
bonds (distance) C4'-P energy: -66.561
bonds (distance) P-C4' energy: -77.888
flat angles C4'-P-C4' energy: -74.331
flat angles P-C4'-P energy: -55.399
tors. eta vs tors. theta energy: -119.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 571
Temperature: 1.100000
Total energy: -1115.305631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.305631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.305631 (E_RNA)
where:
Base-Base interactions energy: -749.678
where: short stacking energy: -297.440
Base-Backbone interact. energy: 1.686
local terms energy: -367.314028
where:
bonds (distance) C4'-P energy: -64.116
bonds (distance) P-C4' energy: -72.188
flat angles C4'-P-C4' energy: -75.535
flat angles P-C4'-P energy: -62.335
tors. eta vs tors. theta energy: -93.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 571
Temperature: 1.150000
Total energy: -1018.880413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.880413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.880413 (E_RNA)
where:
Base-Base interactions energy: -696.262
where: short stacking energy: -300.922
Base-Backbone interact. energy: 3.333
local terms energy: -325.952172
where:
bonds (distance) C4'-P energy: -60.137
bonds (distance) P-C4' energy: -68.015
flat angles C4'-P-C4' energy: -74.363
flat angles P-C4'-P energy: -38.241
tors. eta vs tors. theta energy: -85.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 571
Temperature: 1.200000
Total energy: -905.718216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.718216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.718216 (E_RNA)
where:
Base-Base interactions energy: -587.104
where: short stacking energy: -259.252
Base-Backbone interact. energy: -4.247
local terms energy: -314.367523
where:
bonds (distance) C4'-P energy: -60.589
bonds (distance) P-C4' energy: -74.174
flat angles C4'-P-C4' energy: -59.882
flat angles P-C4'-P energy: -47.427
tors. eta vs tors. theta energy: -72.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 571
Temperature: 1.250000
Total energy: -529.196005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.196005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.196005 (E_RNA)
where:
Base-Base interactions energy: -281.598
where: short stacking energy: -114.197
Base-Backbone interact. energy: -3.660
local terms energy: -243.938267
where:
bonds (distance) C4'-P energy: -75.147
bonds (distance) P-C4' energy: -77.572
flat angles C4'-P-C4' energy: -50.903
flat angles P-C4'-P energy: -43.938
tors. eta vs tors. theta energy: 3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 571
Temperature: 1.300000
Total energy: -353.293508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.293508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.293508 (E_RNA)
where:
Base-Base interactions energy: -137.165
where: short stacking energy: -97.935
Base-Backbone interact. energy: 0.454
local terms energy: -216.582610
where:
bonds (distance) C4'-P energy: -70.663
bonds (distance) P-C4' energy: -63.186
flat angles C4'-P-C4' energy: -62.043
flat angles P-C4'-P energy: -30.575
tors. eta vs tors. theta energy: 9.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 571
Temperature: 1.350000
Total energy: -299.327282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.327282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.327282 (E_RNA)
where:
Base-Base interactions energy: -87.463
where: short stacking energy: -62.420
Base-Backbone interact. energy: 2.227
local terms energy: -214.090979
where:
bonds (distance) C4'-P energy: -74.082
bonds (distance) P-C4' energy: -65.143
flat angles C4'-P-C4' energy: -52.736
flat angles P-C4'-P energy: -52.515
tors. eta vs tors. theta energy: 30.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 572
Temperature: 0.900000
Total energy: -1379.101140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.101140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.101140 (E_RNA)
where:
Base-Base interactions energy: -915.902
where: short stacking energy: -380.219
Base-Backbone interact. energy: -1.923
local terms energy: -461.276574
where:
bonds (distance) C4'-P energy: -87.240
bonds (distance) P-C4' energy: -92.695
flat angles C4'-P-C4' energy: -90.538
flat angles P-C4'-P energy: -57.576
tors. eta vs tors. theta energy: -133.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 572
Temperature: 0.950000
Total energy: -1375.522472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.522472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.522472 (E_RNA)
where:
Base-Base interactions energy: -940.120
where: short stacking energy: -389.327
Base-Backbone interact. energy: -2.977
local terms energy: -432.425082
where:
bonds (distance) C4'-P energy: -73.459
bonds (distance) P-C4' energy: -84.006
flat angles C4'-P-C4' energy: -97.706
flat angles P-C4'-P energy: -53.952
tors. eta vs tors. theta energy: -123.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 572
Temperature: 1.000000
Total energy: -1305.952700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.952700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.952700 (E_RNA)
where:
Base-Base interactions energy: -885.419
where: short stacking energy: -371.003
Base-Backbone interact. energy: -1.378
local terms energy: -419.155651
where:
bonds (distance) C4'-P energy: -74.627
bonds (distance) P-C4' energy: -81.769
flat angles C4'-P-C4' energy: -90.906
flat angles P-C4'-P energy: -53.714
tors. eta vs tors. theta energy: -118.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 572
Temperature: 1.050000
Total energy: -1262.694451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.694451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.694451 (E_RNA)
where:
Base-Base interactions energy: -854.256
where: short stacking energy: -379.342
Base-Backbone interact. energy: -2.137
local terms energy: -406.300679
where:
bonds (distance) C4'-P energy: -75.443
bonds (distance) P-C4' energy: -84.404
flat angles C4'-P-C4' energy: -71.516
flat angles P-C4'-P energy: -62.142
tors. eta vs tors. theta energy: -112.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 572
Temperature: 1.100000
Total energy: -1128.702147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.702147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.702147 (E_RNA)
where:
Base-Base interactions energy: -738.459
where: short stacking energy: -320.456
Base-Backbone interact. energy: -0.541
local terms energy: -389.702851
where:
bonds (distance) C4'-P energy: -72.427
bonds (distance) P-C4' energy: -74.558
flat angles C4'-P-C4' energy: -85.931
flat angles P-C4'-P energy: -60.555
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 572
Temperature: 1.150000
Total energy: -1029.596478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.596478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.596478 (E_RNA)
where:
Base-Base interactions energy: -682.657
where: short stacking energy: -272.828
Base-Backbone interact. energy: -1.929
local terms energy: -345.010189
where:
bonds (distance) C4'-P energy: -71.643
bonds (distance) P-C4' energy: -75.747
flat angles C4'-P-C4' energy: -70.860
flat angles P-C4'-P energy: -46.637
tors. eta vs tors. theta energy: -80.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 572
Temperature: 1.200000
Total energy: -901.231305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.231305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.231305 (E_RNA)
where:
Base-Base interactions energy: -584.168
where: short stacking energy: -235.060
Base-Backbone interact. energy: -0.096
local terms energy: -316.967202
where:
bonds (distance) C4'-P energy: -78.946
bonds (distance) P-C4' energy: -68.896
flat angles C4'-P-C4' energy: -57.791
flat angles P-C4'-P energy: -48.728
tors. eta vs tors. theta energy: -62.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 572
Temperature: 1.250000
Total energy: -537.935545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.935545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.935545 (E_RNA)
where:
Base-Base interactions energy: -288.327
where: short stacking energy: -145.719
Base-Backbone interact. energy: -1.478
local terms energy: -248.130338
where:
bonds (distance) C4'-P energy: -57.610
bonds (distance) P-C4' energy: -79.349
flat angles C4'-P-C4' energy: -60.765
flat angles P-C4'-P energy: -38.998
tors. eta vs tors. theta energy: -11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 572
Temperature: 1.300000
Total energy: -357.527578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.527578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.527578 (E_RNA)
where:
Base-Base interactions energy: -125.660
where: short stacking energy: -106.242
Base-Backbone interact. energy: -2.374
local terms energy: -229.493259
where:
bonds (distance) C4'-P energy: -73.392
bonds (distance) P-C4' energy: -62.943
flat angles C4'-P-C4' energy: -51.793
flat angles P-C4'-P energy: -45.233
tors. eta vs tors. theta energy: 3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 572
Temperature: 1.350000
Total energy: -328.877874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.877874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.877874 (E_RNA)
where:
Base-Base interactions energy: -128.641
where: short stacking energy: -85.263
Base-Backbone interact. energy: 1.144
local terms energy: -201.380510
where:
bonds (distance) C4'-P energy: -78.335
bonds (distance) P-C4' energy: -61.818
flat angles C4'-P-C4' energy: -53.577
flat angles P-C4'-P energy: -35.779
tors. eta vs tors. theta energy: 28.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 573
Temperature: 0.900000
Total energy: -1386.013424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.013424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.013424 (E_RNA)
where:
Base-Base interactions energy: -944.317
where: short stacking energy: -383.949
Base-Backbone interact. energy: -0.999
local terms energy: -440.697254
where:
bonds (distance) C4'-P energy: -75.010
bonds (distance) P-C4' energy: -84.101
flat angles C4'-P-C4' energy: -86.890
flat angles P-C4'-P energy: -71.673
tors. eta vs tors. theta energy: -123.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 573
Temperature: 0.950000
Total energy: -1379.983688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.983688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.983688 (E_RNA)
where:
Base-Base interactions energy: -941.803
where: short stacking energy: -394.659
Base-Backbone interact. energy: -2.785
local terms energy: -435.395725
where:
bonds (distance) C4'-P energy: -89.229
bonds (distance) P-C4' energy: -83.878
flat angles C4'-P-C4' energy: -86.933
flat angles P-C4'-P energy: -56.778
tors. eta vs tors. theta energy: -118.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 573
Temperature: 1.000000
Total energy: -1302.434302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.434302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.434302 (E_RNA)
where:
Base-Base interactions energy: -886.831
where: short stacking energy: -364.377
Base-Backbone interact. energy: -2.381
local terms energy: -413.222508
where:
bonds (distance) C4'-P energy: -72.246
bonds (distance) P-C4' energy: -80.467
flat angles C4'-P-C4' energy: -87.866
flat angles P-C4'-P energy: -60.844
tors. eta vs tors. theta energy: -111.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 573
Temperature: 1.050000
Total energy: -1265.421536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.421536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.421536 (E_RNA)
where:
Base-Base interactions energy: -847.208
where: short stacking energy: -373.638
Base-Backbone interact. energy: -2.711
local terms energy: -415.502324
where:
bonds (distance) C4'-P energy: -76.593
bonds (distance) P-C4' energy: -80.644
flat angles C4'-P-C4' energy: -89.749
flat angles P-C4'-P energy: -49.578
tors. eta vs tors. theta energy: -118.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 573
Temperature: 1.100000
Total energy: -1112.823044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.823044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.823044 (E_RNA)
where:
Base-Base interactions energy: -735.061
where: short stacking energy: -308.479
Base-Backbone interact. energy: -1.329
local terms energy: -376.432280
where:
bonds (distance) C4'-P energy: -67.550
bonds (distance) P-C4' energy: -83.202
flat angles C4'-P-C4' energy: -81.098
flat angles P-C4'-P energy: -53.084
tors. eta vs tors. theta energy: -91.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 573
Temperature: 1.150000
Total energy: -981.286198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.286198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.286198 (E_RNA)
where:
Base-Base interactions energy: -644.285
where: short stacking energy: -261.844
Base-Backbone interact. energy: -0.851
local terms energy: -336.150105
where:
bonds (distance) C4'-P energy: -72.742
bonds (distance) P-C4' energy: -64.758
flat angles C4'-P-C4' energy: -84.146
flat angles P-C4'-P energy: -49.035
tors. eta vs tors. theta energy: -65.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 573
Temperature: 1.200000
Total energy: -997.742016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.742016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.742016 (E_RNA)
where:
Base-Base interactions energy: -647.640
where: short stacking energy: -267.727
Base-Backbone interact. energy: 0.781
local terms energy: -350.882194
where:
bonds (distance) C4'-P energy: -64.614
bonds (distance) P-C4' energy: -74.367
flat angles C4'-P-C4' energy: -81.076
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -86.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 573
Temperature: 1.250000
Total energy: -599.810133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.810133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.810133 (E_RNA)
where:
Base-Base interactions energy: -348.086
where: short stacking energy: -154.680
Base-Backbone interact. energy: -0.860
local terms energy: -250.864352
where:
bonds (distance) C4'-P energy: -58.056
bonds (distance) P-C4' energy: -70.807
flat angles C4'-P-C4' energy: -65.423
flat angles P-C4'-P energy: -37.515
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 573
Temperature: 1.300000
Total energy: -345.170716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.170716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.170716 (E_RNA)
where:
Base-Base interactions energy: -108.848
where: short stacking energy: -90.181
Base-Backbone interact. energy: -0.795
local terms energy: -235.527895
where:
bonds (distance) C4'-P energy: -69.626
bonds (distance) P-C4' energy: -65.885
flat angles C4'-P-C4' energy: -63.028
flat angles P-C4'-P energy: -35.418
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 573
Temperature: 1.350000
Total energy: -308.884882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.884882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.884882 (E_RNA)
where:
Base-Base interactions energy: -119.941
where: short stacking energy: -92.183
Base-Backbone interact. energy: -2.865
local terms energy: -186.078957
where:
bonds (distance) C4'-P energy: -71.394
bonds (distance) P-C4' energy: -57.672
flat angles C4'-P-C4' energy: -53.381
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: 21.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 574
Temperature: 0.900000
Total energy: -1422.350787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.350787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.350787 (E_RNA)
where:
Base-Base interactions energy: -960.335
where: short stacking energy: -399.096
Base-Backbone interact. energy: -4.422
local terms energy: -457.594345
where:
bonds (distance) C4'-P energy: -78.074
bonds (distance) P-C4' energy: -85.309
flat angles C4'-P-C4' energy: -97.422
flat angles P-C4'-P energy: -65.338
tors. eta vs tors. theta energy: -131.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 574
Temperature: 0.950000
Total energy: -1387.573353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.573353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.573353 (E_RNA)
where:
Base-Base interactions energy: -970.305
where: short stacking energy: -407.913
Base-Backbone interact. energy: -1.534
local terms energy: -415.733819
where:
bonds (distance) C4'-P energy: -75.402
bonds (distance) P-C4' energy: -74.331
flat angles C4'-P-C4' energy: -83.873
flat angles P-C4'-P energy: -55.606
tors. eta vs tors. theta energy: -126.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 574
Temperature: 1.000000
Total energy: -1310.052002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.052002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.052002 (E_RNA)
where:
Base-Base interactions energy: -899.141
where: short stacking energy: -396.454
Base-Backbone interact. energy: -0.859
local terms energy: -410.052067
where:
bonds (distance) C4'-P energy: -72.599
bonds (distance) P-C4' energy: -76.553
flat angles C4'-P-C4' energy: -83.670
flat angles P-C4'-P energy: -59.183
tors. eta vs tors. theta energy: -118.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 574
Temperature: 1.050000
Total energy: -1261.246541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.246541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.246541 (E_RNA)
where:
Base-Base interactions energy: -879.271
where: short stacking energy: -363.752
Base-Backbone interact. energy: -0.925
local terms energy: -381.050344
where:
bonds (distance) C4'-P energy: -67.724
bonds (distance) P-C4' energy: -74.797
flat angles C4'-P-C4' energy: -82.230
flat angles P-C4'-P energy: -44.384
tors. eta vs tors. theta energy: -111.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 574
Temperature: 1.100000
Total energy: -1079.794547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.794547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.794547 (E_RNA)
where:
Base-Base interactions energy: -715.379
where: short stacking energy: -306.497
Base-Backbone interact. energy: -1.181
local terms energy: -363.235126
where:
bonds (distance) C4'-P energy: -73.582
bonds (distance) P-C4' energy: -71.117
flat angles C4'-P-C4' energy: -80.086
flat angles P-C4'-P energy: -45.989
tors. eta vs tors. theta energy: -92.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 574
Temperature: 1.150000
Total energy: -954.320448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.320448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.320448 (E_RNA)
where:
Base-Base interactions energy: -631.329
where: short stacking energy: -278.285
Base-Backbone interact. energy: -0.758
local terms energy: -322.233891
where:
bonds (distance) C4'-P energy: -55.869
bonds (distance) P-C4' energy: -69.470
flat angles C4'-P-C4' energy: -79.781
flat angles P-C4'-P energy: -41.731
tors. eta vs tors. theta energy: -75.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 574
Temperature: 1.200000
Total energy: -954.636487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.636487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.636487 (E_RNA)
where:
Base-Base interactions energy: -624.888
where: short stacking energy: -280.288
Base-Backbone interact. energy: 1.228
local terms energy: -330.976373
where:
bonds (distance) C4'-P energy: -62.860
bonds (distance) P-C4' energy: -73.893
flat angles C4'-P-C4' energy: -71.339
flat angles P-C4'-P energy: -47.203
tors. eta vs tors. theta energy: -75.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 574
Temperature: 1.250000
Total energy: -527.088280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.088280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.088280 (E_RNA)
where:
Base-Base interactions energy: -302.015
where: short stacking energy: -143.022
Base-Backbone interact. energy: 0.736
local terms energy: -225.809507
where:
bonds (distance) C4'-P energy: -75.225
bonds (distance) P-C4' energy: -58.334
flat angles C4'-P-C4' energy: -63.163
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 574
Temperature: 1.300000
Total energy: -331.045927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.045927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.045927 (E_RNA)
where:
Base-Base interactions energy: -119.605
where: short stacking energy: -102.475
Base-Backbone interact. energy: -0.798
local terms energy: -210.642678
where:
bonds (distance) C4'-P energy: -62.143
bonds (distance) P-C4' energy: -75.878
flat angles C4'-P-C4' energy: -56.175
flat angles P-C4'-P energy: -23.183
tors. eta vs tors. theta energy: 6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 574
Temperature: 1.350000
Total energy: -356.136673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.136673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.136673 (E_RNA)
where:
Base-Base interactions energy: -140.233
where: short stacking energy: -110.941
Base-Backbone interact. energy: -1.282
local terms energy: -214.621908
where:
bonds (distance) C4'-P energy: -66.963
bonds (distance) P-C4' energy: -68.682
flat angles C4'-P-C4' energy: -46.243
flat angles P-C4'-P energy: -29.716
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
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DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 575
Temperature: 0.900000
Total energy: -1388.927778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.927778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.927778 (E_RNA)
where:
Base-Base interactions energy: -954.244
where: short stacking energy: -381.156
Base-Backbone interact. energy: -1.533
local terms energy: -433.151082
where:
bonds (distance) C4'-P energy: -79.852
bonds (distance) P-C4' energy: -73.634
flat angles C4'-P-C4' energy: -94.801
flat angles P-C4'-P energy: -61.292
tors. eta vs tors. theta energy: -123.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 575
Temperature: 0.950000
Total energy: -1376.606265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.606265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.606265 (E_RNA)
where:
Base-Base interactions energy: -936.230
where: short stacking energy: -387.987
Base-Backbone interact. energy: 1.779
local terms energy: -442.155892
where:
bonds (distance) C4'-P energy: -82.694
bonds (distance) P-C4' energy: -80.734
flat angles C4'-P-C4' energy: -98.694
flat angles P-C4'-P energy: -55.949
tors. eta vs tors. theta energy: -124.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 575
Temperature: 1.000000
Total energy: -1292.329063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.329063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.329063 (E_RNA)
where:
Base-Base interactions energy: -879.424
where: short stacking energy: -382.815
Base-Backbone interact. energy: -1.275
local terms energy: -411.630941
where:
bonds (distance) C4'-P energy: -76.824
bonds (distance) P-C4' energy: -63.812
flat angles C4'-P-C4' energy: -92.391
flat angles P-C4'-P energy: -55.174
tors. eta vs tors. theta energy: -123.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 575
Temperature: 1.050000
Total energy: -1276.903571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.903571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.903571 (E_RNA)
where:
Base-Base interactions energy: -868.152
where: short stacking energy: -348.804
Base-Backbone interact. energy: -3.860
local terms energy: -404.891625
where:
bonds (distance) C4'-P energy: -68.308
bonds (distance) P-C4' energy: -79.698
flat angles C4'-P-C4' energy: -84.370
flat angles P-C4'-P energy: -59.225
tors. eta vs tors. theta energy: -113.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 575
Temperature: 1.100000
Total energy: -1115.606111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.606111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.606111 (E_RNA)
where:
Base-Base interactions energy: -730.955
where: short stacking energy: -318.195
Base-Backbone interact. energy: 0.769
local terms energy: -385.420599
where:
bonds (distance) C4'-P energy: -73.644
bonds (distance) P-C4' energy: -78.217
flat angles C4'-P-C4' energy: -79.935
flat angles P-C4'-P energy: -55.394
tors. eta vs tors. theta energy: -98.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 575
Temperature: 1.150000
Total energy: -944.742420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.742420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.742420 (E_RNA)
where:
Base-Base interactions energy: -592.163
where: short stacking energy: -255.195
Base-Backbone interact. energy: -0.052
local terms energy: -352.527272
where:
bonds (distance) C4'-P energy: -75.343
bonds (distance) P-C4' energy: -71.353
flat angles C4'-P-C4' energy: -88.361
flat angles P-C4'-P energy: -49.825
tors. eta vs tors. theta energy: -67.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 575
Temperature: 1.200000
Total energy: -852.662135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.662135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.662135 (E_RNA)
where:
Base-Base interactions energy: -538.388
where: short stacking energy: -232.311
Base-Backbone interact. energy: -3.337
local terms energy: -310.937624
where:
bonds (distance) C4'-P energy: -69.793
bonds (distance) P-C4' energy: -66.223
flat angles C4'-P-C4' energy: -75.261
flat angles P-C4'-P energy: -45.700
tors. eta vs tors. theta energy: -53.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 575
Temperature: 1.250000
Total energy: -561.909859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.909859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.909859 (E_RNA)
where:
Base-Base interactions energy: -304.477
where: short stacking energy: -159.032
Base-Backbone interact. energy: -2.995
local terms energy: -254.437425
where:
bonds (distance) C4'-P energy: -66.249
bonds (distance) P-C4' energy: -69.988
flat angles C4'-P-C4' energy: -63.679
flat angles P-C4'-P energy: -33.562
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 575
Temperature: 1.300000
Total energy: -330.763725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.763725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.763725 (E_RNA)
where:
Base-Base interactions energy: -110.737
where: short stacking energy: -97.867
Base-Backbone interact. energy: 1.319
local terms energy: -221.345458
where:
bonds (distance) C4'-P energy: -50.626
bonds (distance) P-C4' energy: -75.560
flat angles C4'-P-C4' energy: -69.808
flat angles P-C4'-P energy: -33.995
tors. eta vs tors. theta energy: 8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 575
Temperature: 1.350000
Total energy: -324.432060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.432060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.432060 (E_RNA)
where:
Base-Base interactions energy: -112.759
where: short stacking energy: -74.007
Base-Backbone interact. energy: 2.099
local terms energy: -213.771691
where:
bonds (distance) C4'-P energy: -73.104
bonds (distance) P-C4' energy: -68.874
flat angles C4'-P-C4' energy: -46.060
flat angles P-C4'-P energy: -42.875
tors. eta vs tors. theta energy: 17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 576
Temperature: 0.900000
Total energy: -1415.071289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.071289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.071289 (E_RNA)
where:
Base-Base interactions energy: -971.578
where: short stacking energy: -413.244
Base-Backbone interact. energy: 0.887
local terms energy: -444.380626
where:
bonds (distance) C4'-P energy: -80.724
bonds (distance) P-C4' energy: -79.018
flat angles C4'-P-C4' energy: -89.533
flat angles P-C4'-P energy: -67.195
tors. eta vs tors. theta energy: -127.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 576
Temperature: 0.950000
Total energy: -1349.831065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.831065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.831065 (E_RNA)
where:
Base-Base interactions energy: -923.332
where: short stacking energy: -390.291
Base-Backbone interact. energy: -1.095
local terms energy: -425.404509
where:
bonds (distance) C4'-P energy: -80.732
bonds (distance) P-C4' energy: -77.160
flat angles C4'-P-C4' energy: -85.861
flat angles P-C4'-P energy: -63.334
tors. eta vs tors. theta energy: -118.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 576
Temperature: 1.000000
Total energy: -1283.058372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.058372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.058372 (E_RNA)
where:
Base-Base interactions energy: -875.132
where: short stacking energy: -378.165
Base-Backbone interact. energy: -0.349
local terms energy: -407.577317
where:
bonds (distance) C4'-P energy: -71.838
bonds (distance) P-C4' energy: -73.276
flat angles C4'-P-C4' energy: -89.443
flat angles P-C4'-P energy: -51.191
tors. eta vs tors. theta energy: -121.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 576
Temperature: 1.050000
Total energy: -1267.078140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.078140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.078140 (E_RNA)
where:
Base-Base interactions energy: -885.549
where: short stacking energy: -355.880
Base-Backbone interact. energy: -1.745
local terms energy: -379.784134
where:
bonds (distance) C4'-P energy: -67.890
bonds (distance) P-C4' energy: -75.620
flat angles C4'-P-C4' energy: -77.798
flat angles P-C4'-P energy: -42.911
tors. eta vs tors. theta energy: -115.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 576
Temperature: 1.100000
Total energy: -1075.183799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.183799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.183799 (E_RNA)
where:
Base-Base interactions energy: -708.658
where: short stacking energy: -298.923
Base-Backbone interact. energy: -1.821
local terms energy: -364.704338
where:
bonds (distance) C4'-P energy: -77.216
bonds (distance) P-C4' energy: -78.145
flat angles C4'-P-C4' energy: -84.064
flat angles P-C4'-P energy: -48.135
tors. eta vs tors. theta energy: -77.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 576
Temperature: 1.150000
Total energy: -948.597512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.597512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.597512 (E_RNA)
where:
Base-Base interactions energy: -606.906
where: short stacking energy: -271.615
Base-Backbone interact. energy: 0.470
local terms energy: -342.161595
where:
bonds (distance) C4'-P energy: -70.245
bonds (distance) P-C4' energy: -61.628
flat angles C4'-P-C4' energy: -74.560
flat angles P-C4'-P energy: -60.772
tors. eta vs tors. theta energy: -74.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 576
Temperature: 1.200000
Total energy: -833.493024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.493024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.493024 (E_RNA)
where:
Base-Base interactions energy: -516.797
where: short stacking energy: -217.738
Base-Backbone interact. energy: -2.128
local terms energy: -314.568207
where:
bonds (distance) C4'-P energy: -62.418
bonds (distance) P-C4' energy: -79.986
flat angles C4'-P-C4' energy: -61.876
flat angles P-C4'-P energy: -55.768
tors. eta vs tors. theta energy: -54.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 576
Temperature: 1.250000
Total energy: -658.219354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.219354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.219354 (E_RNA)
where:
Base-Base interactions energy: -391.030
where: short stacking energy: -178.501
Base-Backbone interact. energy: 0.016
local terms energy: -267.205426
where:
bonds (distance) C4'-P energy: -71.476
bonds (distance) P-C4' energy: -75.018
flat angles C4'-P-C4' energy: -51.351
flat angles P-C4'-P energy: -46.235
tors. eta vs tors. theta energy: -23.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 576
Temperature: 1.300000
Total energy: -349.048510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.048510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.048510 (E_RNA)
where:
Base-Base interactions energy: -119.372
where: short stacking energy: -83.901
Base-Backbone interact. energy: 0.495
local terms energy: -230.171685
where:
bonds (distance) C4'-P energy: -70.001
bonds (distance) P-C4' energy: -79.643
flat angles C4'-P-C4' energy: -59.425
flat angles P-C4'-P energy: -33.747
tors. eta vs tors. theta energy: 12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 576
Temperature: 1.350000
Total energy: -331.388504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.388504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.388504 (E_RNA)
where:
Base-Base interactions energy: -125.015
where: short stacking energy: -87.251
Base-Backbone interact. energy: 1.451
local terms energy: -207.824878
where:
bonds (distance) C4'-P energy: -64.766
bonds (distance) P-C4' energy: -63.408
flat angles C4'-P-C4' energy: -54.702
flat angles P-C4'-P energy: -42.636
tors. eta vs tors. theta energy: 17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 577
Temperature: 0.900000
Total energy: -1430.945911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.945911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.945911 (E_RNA)
where:
Base-Base interactions energy: -991.297
where: short stacking energy: -410.159
Base-Backbone interact. energy: -1.333
local terms energy: -438.315625
where:
bonds (distance) C4'-P energy: -82.712
bonds (distance) P-C4' energy: -75.561
flat angles C4'-P-C4' energy: -91.418
flat angles P-C4'-P energy: -56.064
tors. eta vs tors. theta energy: -132.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 577
Temperature: 0.950000
Total energy: -1298.434278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.434278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.434278 (E_RNA)
where:
Base-Base interactions energy: -862.363
where: short stacking energy: -369.031
Base-Backbone interact. energy: -3.502
local terms energy: -432.569310
where:
bonds (distance) C4'-P energy: -82.695
bonds (distance) P-C4' energy: -77.897
flat angles C4'-P-C4' energy: -89.754
flat angles P-C4'-P energy: -69.261
tors. eta vs tors. theta energy: -112.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 577
Temperature: 1.000000
Total energy: -1330.184197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.184197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.184197 (E_RNA)
where:
Base-Base interactions energy: -923.743
where: short stacking energy: -380.956
Base-Backbone interact. energy: -0.773
local terms energy: -405.667420
where:
bonds (distance) C4'-P energy: -72.963
bonds (distance) P-C4' energy: -72.924
flat angles C4'-P-C4' energy: -90.392
flat angles P-C4'-P energy: -53.183
tors. eta vs tors. theta energy: -116.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 577
Temperature: 1.050000
Total energy: -1263.983314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.983314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.983314 (E_RNA)
where:
Base-Base interactions energy: -864.207
where: short stacking energy: -342.746
Base-Backbone interact. energy: 3.330
local terms energy: -403.105946
where:
bonds (distance) C4'-P energy: -79.162
bonds (distance) P-C4' energy: -68.205
flat angles C4'-P-C4' energy: -92.220
flat angles P-C4'-P energy: -58.044
tors. eta vs tors. theta energy: -105.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 577
Temperature: 1.100000
Total energy: -1069.962952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.962952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.962952 (E_RNA)
where:
Base-Base interactions energy: -719.234
where: short stacking energy: -310.298
Base-Backbone interact. energy: -0.598
local terms energy: -350.130934
where:
bonds (distance) C4'-P energy: -62.044
bonds (distance) P-C4' energy: -63.669
flat angles C4'-P-C4' energy: -81.959
flat angles P-C4'-P energy: -52.073
tors. eta vs tors. theta energy: -90.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 577
Temperature: 1.150000
Total energy: -1001.222767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.222767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.222767 (E_RNA)
where:
Base-Base interactions energy: -658.634
where: short stacking energy: -254.394
Base-Backbone interact. energy: -3.639
local terms energy: -338.949986
where:
bonds (distance) C4'-P energy: -72.277
bonds (distance) P-C4' energy: -70.624
flat angles C4'-P-C4' energy: -69.457
flat angles P-C4'-P energy: -51.715
tors. eta vs tors. theta energy: -74.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 577
Temperature: 1.200000
Total energy: -790.078291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.078291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.078291 (E_RNA)
where:
Base-Base interactions energy: -475.838
where: short stacking energy: -209.473
Base-Backbone interact. energy: -0.825
local terms energy: -313.414353
where:
bonds (distance) C4'-P energy: -73.596
bonds (distance) P-C4' energy: -84.156
flat angles C4'-P-C4' energy: -62.788
flat angles P-C4'-P energy: -46.358
tors. eta vs tors. theta energy: -46.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 577
Temperature: 1.250000
Total energy: -610.258052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.258052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.258052 (E_RNA)
where:
Base-Base interactions energy: -351.971
where: short stacking energy: -153.861
Base-Backbone interact. energy: -3.616
local terms energy: -254.670470
where:
bonds (distance) C4'-P energy: -58.606
bonds (distance) P-C4' energy: -67.234
flat angles C4'-P-C4' energy: -65.031
flat angles P-C4'-P energy: -48.088
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 577
Temperature: 1.300000
Total energy: -318.673314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.673314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.673314 (E_RNA)
where:
Base-Base interactions energy: -101.815
where: short stacking energy: -79.200
Base-Backbone interact. energy: -0.627
local terms energy: -216.230978
where:
bonds (distance) C4'-P energy: -63.504
bonds (distance) P-C4' energy: -64.315
flat angles C4'-P-C4' energy: -58.480
flat angles P-C4'-P energy: -34.357
tors. eta vs tors. theta energy: 4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 577
Temperature: 1.350000
Total energy: -332.843534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.843534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.843534 (E_RNA)
where:
Base-Base interactions energy: -127.300
where: short stacking energy: -109.777
Base-Backbone interact. energy: -1.543
local terms energy: -204.000501
where:
bonds (distance) C4'-P energy: -54.418
bonds (distance) P-C4' energy: -62.644
flat angles C4'-P-C4' energy: -59.138
flat angles P-C4'-P energy: -35.762
tors. eta vs tors. theta energy: 7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 578
Temperature: 0.900000
Total energy: -1414.091279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.091279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.091279 (E_RNA)
where:
Base-Base interactions energy: -961.420
where: short stacking energy: -416.652
Base-Backbone interact. energy: -1.137
local terms energy: -451.535084
where:
bonds (distance) C4'-P energy: -84.807
bonds (distance) P-C4' energy: -83.865
flat angles C4'-P-C4' energy: -93.956
flat angles P-C4'-P energy: -59.921
tors. eta vs tors. theta energy: -128.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 578
Temperature: 0.950000
Total energy: -1329.815583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.815583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.815583 (E_RNA)
where:
Base-Base interactions energy: -904.739
where: short stacking energy: -400.233
Base-Backbone interact. energy: -1.872
local terms energy: -423.204934
where:
bonds (distance) C4'-P energy: -80.738
bonds (distance) P-C4' energy: -87.897
flat angles C4'-P-C4' energy: -80.602
flat angles P-C4'-P energy: -58.062
tors. eta vs tors. theta energy: -115.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 578
Temperature: 1.000000
Total energy: -1280.742596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.742596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.742596 (E_RNA)
where:
Base-Base interactions energy: -871.851
where: short stacking energy: -347.016
Base-Backbone interact. energy: -2.067
local terms energy: -406.824678
where:
bonds (distance) C4'-P energy: -73.535
bonds (distance) P-C4' energy: -77.416
flat angles C4'-P-C4' energy: -96.900
flat angles P-C4'-P energy: -59.338
tors. eta vs tors. theta energy: -99.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 578
Temperature: 1.050000
Total energy: -1289.346613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.346613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.346613 (E_RNA)
where:
Base-Base interactions energy: -878.303
where: short stacking energy: -356.565
Base-Backbone interact. energy: -2.142
local terms energy: -408.902064
where:
bonds (distance) C4'-P energy: -82.384
bonds (distance) P-C4' energy: -80.156
flat angles C4'-P-C4' energy: -86.860
flat angles P-C4'-P energy: -49.992
tors. eta vs tors. theta energy: -109.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 578
Temperature: 1.100000
Total energy: -1104.459134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.459134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.459134 (E_RNA)
where:
Base-Base interactions energy: -734.243
where: short stacking energy: -306.040
Base-Backbone interact. energy: -0.534
local terms energy: -369.681429
where:
bonds (distance) C4'-P energy: -66.520
bonds (distance) P-C4' energy: -82.600
flat angles C4'-P-C4' energy: -81.759
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: -95.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 578
Temperature: 1.150000
Total energy: -946.793393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.793393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.793393 (E_RNA)
where:
Base-Base interactions energy: -619.830
where: short stacking energy: -266.582
Base-Backbone interact. energy: -1.690
local terms energy: -325.273162
where:
bonds (distance) C4'-P energy: -74.941
bonds (distance) P-C4' energy: -77.270
flat angles C4'-P-C4' energy: -75.048
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -64.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 578
Temperature: 1.200000
Total energy: -773.113321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.113321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.113321 (E_RNA)
where:
Base-Base interactions energy: -484.394
where: short stacking energy: -224.016
Base-Backbone interact. energy: -1.687
local terms energy: -287.032519
where:
bonds (distance) C4'-P energy: -69.024
bonds (distance) P-C4' energy: -82.409
flat angles C4'-P-C4' energy: -48.703
flat angles P-C4'-P energy: -41.816
tors. eta vs tors. theta energy: -45.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 578
Temperature: 1.250000
Total energy: -586.204987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.204987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.204987 (E_RNA)
where:
Base-Base interactions energy: -342.632
where: short stacking energy: -197.431
Base-Backbone interact. energy: -2.799
local terms energy: -240.774688
where:
bonds (distance) C4'-P energy: -69.209
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -49.187
flat angles P-C4'-P energy: -34.625
tors. eta vs tors. theta energy: -36.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 578
Temperature: 1.300000
Total energy: -335.538973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.538973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.538973 (E_RNA)
where:
Base-Base interactions energy: -126.514
where: short stacking energy: -88.746
Base-Backbone interact. energy: -2.808
local terms energy: -206.216503
where:
bonds (distance) C4'-P energy: -64.630
bonds (distance) P-C4' energy: -69.200
flat angles C4'-P-C4' energy: -54.936
flat angles P-C4'-P energy: -28.558
tors. eta vs tors. theta energy: 11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 578
Temperature: 1.350000
Total energy: -315.869745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.869745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.869745 (E_RNA)
where:
Base-Base interactions energy: -107.081
where: short stacking energy: -77.244
Base-Backbone interact. energy: 0.105
local terms energy: -208.894024
where:
bonds (distance) C4'-P energy: -77.804
bonds (distance) P-C4' energy: -72.978
flat angles C4'-P-C4' energy: -58.942
flat angles P-C4'-P energy: -22.982
tors. eta vs tors. theta energy: 23.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 579
Temperature: 0.900000
Total energy: -1434.200100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.200100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.200100 (E_RNA)
where:
Base-Base interactions energy: -987.292
where: short stacking energy: -409.849
Base-Backbone interact. energy: -0.906
local terms energy: -446.002598
where:
bonds (distance) C4'-P energy: -86.090
bonds (distance) P-C4' energy: -83.797
flat angles C4'-P-C4' energy: -94.306
flat angles P-C4'-P energy: -58.218
tors. eta vs tors. theta energy: -123.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 579
Temperature: 0.950000
Total energy: -1318.226704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.226704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.226704 (E_RNA)
where:
Base-Base interactions energy: -903.628
where: short stacking energy: -369.213
Base-Backbone interact. energy: -1.114
local terms energy: -413.484343
where:
bonds (distance) C4'-P energy: -80.261
bonds (distance) P-C4' energy: -74.955
flat angles C4'-P-C4' energy: -85.260
flat angles P-C4'-P energy: -64.138
tors. eta vs tors. theta energy: -108.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 579
Temperature: 1.000000
Total energy: -1294.723802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.723802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.723802 (E_RNA)
where:
Base-Base interactions energy: -876.488
where: short stacking energy: -379.459
Base-Backbone interact. energy: -2.407
local terms energy: -415.828166
where:
bonds (distance) C4'-P energy: -67.291
bonds (distance) P-C4' energy: -77.270
flat angles C4'-P-C4' energy: -93.068
flat angles P-C4'-P energy: -56.958
tors. eta vs tors. theta energy: -121.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 579
Temperature: 1.050000
Total energy: -1311.720254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.720254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.720254 (E_RNA)
where:
Base-Base interactions energy: -929.800
where: short stacking energy: -360.353
Base-Backbone interact. energy: -0.603
local terms energy: -381.318025
where:
bonds (distance) C4'-P energy: -67.860
bonds (distance) P-C4' energy: -64.232
flat angles C4'-P-C4' energy: -78.934
flat angles P-C4'-P energy: -57.002
tors. eta vs tors. theta energy: -113.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 579
Temperature: 1.100000
Total energy: -1141.141315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.141315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.141315 (E_RNA)
where:
Base-Base interactions energy: -738.579
where: short stacking energy: -354.265
Base-Backbone interact. energy: -0.324
local terms energy: -402.238372
where:
bonds (distance) C4'-P energy: -76.835
bonds (distance) P-C4' energy: -79.212
flat angles C4'-P-C4' energy: -90.562
flat angles P-C4'-P energy: -45.767
tors. eta vs tors. theta energy: -109.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 579
Temperature: 1.150000
Total energy: -929.213089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.213089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.213089 (E_RNA)
where:
Base-Base interactions energy: -595.003
where: short stacking energy: -247.740
Base-Backbone interact. energy: -1.638
local terms energy: -332.572182
where:
bonds (distance) C4'-P energy: -76.143
bonds (distance) P-C4' energy: -76.248
flat angles C4'-P-C4' energy: -71.587
flat angles P-C4'-P energy: -47.023
tors. eta vs tors. theta energy: -61.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 579
Temperature: 1.200000
Total energy: -804.921802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.921802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.921802 (E_RNA)
where:
Base-Base interactions energy: -478.727
where: short stacking energy: -229.520
Base-Backbone interact. energy: -0.827
local terms energy: -325.368670
where:
bonds (distance) C4'-P energy: -68.141
bonds (distance) P-C4' energy: -70.972
flat angles C4'-P-C4' energy: -73.687
flat angles P-C4'-P energy: -49.904
tors. eta vs tors. theta energy: -62.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 579
Temperature: 1.250000
Total energy: -558.695654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.695654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.695654 (E_RNA)
where:
Base-Base interactions energy: -314.412
where: short stacking energy: -151.186
Base-Backbone interact. energy: -1.751
local terms energy: -242.532550
where:
bonds (distance) C4'-P energy: -55.869
bonds (distance) P-C4' energy: -62.636
flat angles C4'-P-C4' energy: -44.229
flat angles P-C4'-P energy: -50.363
tors. eta vs tors. theta energy: -29.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 579
Temperature: 1.300000
Total energy: -379.957504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.957504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.957504 (E_RNA)
where:
Base-Base interactions energy: -142.191
where: short stacking energy: -109.598
Base-Backbone interact. energy: -2.225
local terms energy: -235.542078
where:
bonds (distance) C4'-P energy: -75.635
bonds (distance) P-C4' energy: -68.447
flat angles C4'-P-C4' energy: -65.322
flat angles P-C4'-P energy: -33.846
tors. eta vs tors. theta energy: 7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 579
Temperature: 1.350000
Total energy: -322.010621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.010621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.010621 (E_RNA)
where:
Base-Base interactions energy: -108.003
where: short stacking energy: -77.933
Base-Backbone interact. energy: -2.886
local terms energy: -211.120859
where:
bonds (distance) C4'-P energy: -58.046
bonds (distance) P-C4' energy: -73.612
flat angles C4'-P-C4' energy: -60.528
flat angles P-C4'-P energy: -32.283
tors. eta vs tors. theta energy: 13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 580
Temperature: 0.900000
Total energy: -1431.608590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.608590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.608590 (E_RNA)
where:
Base-Base interactions energy: -974.158
where: short stacking energy: -405.571
Base-Backbone interact. energy: 0.794
local terms energy: -458.244071
where:
bonds (distance) C4'-P energy: -87.904
bonds (distance) P-C4' energy: -86.482
flat angles C4'-P-C4' energy: -94.258
flat angles P-C4'-P energy: -54.635
tors. eta vs tors. theta energy: -134.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 580
Temperature: 0.950000
Total energy: -1339.339747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.339747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.339747 (E_RNA)
where:
Base-Base interactions energy: -902.472
where: short stacking energy: -378.335
Base-Backbone interact. energy: -2.316
local terms energy: -434.552515
where:
bonds (distance) C4'-P energy: -87.806
bonds (distance) P-C4' energy: -88.139
flat angles C4'-P-C4' energy: -89.227
flat angles P-C4'-P energy: -53.379
tors. eta vs tors. theta energy: -116.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 580
Temperature: 1.000000
Total energy: -1326.279501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.279501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.279501 (E_RNA)
where:
Base-Base interactions energy: -912.847
where: short stacking energy: -378.087
Base-Backbone interact. energy: 3.328
local terms energy: -416.760559
where:
bonds (distance) C4'-P energy: -73.784
bonds (distance) P-C4' energy: -84.782
flat angles C4'-P-C4' energy: -88.371
flat angles P-C4'-P energy: -49.915
tors. eta vs tors. theta energy: -119.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 580
Temperature: 1.050000
Total energy: -1262.855004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.855004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.855004 (E_RNA)
where:
Base-Base interactions energy: -843.526
where: short stacking energy: -377.593
Base-Backbone interact. energy: -0.461
local terms energy: -418.867327
where:
bonds (distance) C4'-P energy: -65.118
bonds (distance) P-C4' energy: -89.397
flat angles C4'-P-C4' energy: -86.554
flat angles P-C4'-P energy: -61.972
tors. eta vs tors. theta energy: -115.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 580
Temperature: 1.100000
Total energy: -1125.437446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.437446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.437446 (E_RNA)
where:
Base-Base interactions energy: -744.878
where: short stacking energy: -326.812
Base-Backbone interact. energy: -0.348
local terms energy: -380.211652
where:
bonds (distance) C4'-P energy: -76.478
bonds (distance) P-C4' energy: -73.564
flat angles C4'-P-C4' energy: -81.503
flat angles P-C4'-P energy: -39.819
tors. eta vs tors. theta energy: -108.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 580
Temperature: 1.150000
Total energy: -1032.064245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.064245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.064245 (E_RNA)
where:
Base-Base interactions energy: -667.297
where: short stacking energy: -279.953
Base-Backbone interact. energy: -1.567
local terms energy: -363.199754
where:
bonds (distance) C4'-P energy: -75.454
bonds (distance) P-C4' energy: -76.094
flat angles C4'-P-C4' energy: -88.925
flat angles P-C4'-P energy: -47.604
tors. eta vs tors. theta energy: -75.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 580
Temperature: 1.200000
Total energy: -784.390120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.390120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.390120 (E_RNA)
where:
Base-Base interactions energy: -496.275
where: short stacking energy: -226.762
Base-Backbone interact. energy: -0.847
local terms energy: -287.268702
where:
bonds (distance) C4'-P energy: -69.705
bonds (distance) P-C4' energy: -62.097
flat angles C4'-P-C4' energy: -63.300
flat angles P-C4'-P energy: -35.262
tors. eta vs tors. theta energy: -56.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 580
Temperature: 1.250000
Total energy: -629.024405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.024405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.024405 (E_RNA)
where:
Base-Base interactions energy: -371.937
where: short stacking energy: -176.004
Base-Backbone interact. energy: -0.809
local terms energy: -256.277903
where:
bonds (distance) C4'-P energy: -62.945
bonds (distance) P-C4' energy: -70.816
flat angles C4'-P-C4' energy: -59.746
flat angles P-C4'-P energy: -32.811
tors. eta vs tors. theta energy: -29.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 580
Temperature: 1.300000
Total energy: -341.751314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.751314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.751314 (E_RNA)
where:
Base-Base interactions energy: -111.964
where: short stacking energy: -102.601
Base-Backbone interact. energy: -0.513
local terms energy: -229.273645
where:
bonds (distance) C4'-P energy: -63.118
bonds (distance) P-C4' energy: -58.807
flat angles C4'-P-C4' energy: -68.120
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 580
Temperature: 1.350000
Total energy: -327.667147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.667147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.667147 (E_RNA)
where:
Base-Base interactions energy: -111.243
where: short stacking energy: -59.344
Base-Backbone interact. energy: -0.859
local terms energy: -215.565235
where:
bonds (distance) C4'-P energy: -73.463
bonds (distance) P-C4' energy: -77.944
flat angles C4'-P-C4' energy: -59.095
flat angles P-C4'-P energy: -31.157
tors. eta vs tors. theta energy: 26.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 581
Temperature: 0.900000
Total energy: -1419.946778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.946778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.946778 (E_RNA)
where:
Base-Base interactions energy: -969.041
where: short stacking energy: -408.420
Base-Backbone interact. energy: -0.823
local terms energy: -450.083154
where:
bonds (distance) C4'-P energy: -84.392
bonds (distance) P-C4' energy: -78.933
flat angles C4'-P-C4' energy: -95.721
flat angles P-C4'-P energy: -58.618
tors. eta vs tors. theta energy: -132.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 581
Temperature: 0.950000
Total energy: -1328.676895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.676895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.676895 (E_RNA)
where:
Base-Base interactions energy: -919.689
where: short stacking energy: -381.941
Base-Backbone interact. energy: 1.409
local terms energy: -410.397180
where:
bonds (distance) C4'-P energy: -72.873
bonds (distance) P-C4' energy: -81.240
flat angles C4'-P-C4' energy: -82.339
flat angles P-C4'-P energy: -54.851
tors. eta vs tors. theta energy: -119.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 581
Temperature: 1.000000
Total energy: -1291.026949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.026949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.026949 (E_RNA)
where:
Base-Base interactions energy: -894.632
where: short stacking energy: -369.240
Base-Backbone interact. energy: -2.642
local terms energy: -393.753363
where:
bonds (distance) C4'-P energy: -70.264
bonds (distance) P-C4' energy: -57.208
flat angles C4'-P-C4' energy: -97.095
flat angles P-C4'-P energy: -55.667
tors. eta vs tors. theta energy: -113.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 581
Temperature: 1.050000
Total energy: -1248.362073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.362073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.362073 (E_RNA)
where:
Base-Base interactions energy: -847.891
where: short stacking energy: -350.640
Base-Backbone interact. energy: -0.351
local terms energy: -400.120052
where:
bonds (distance) C4'-P energy: -60.414
bonds (distance) P-C4' energy: -78.008
flat angles C4'-P-C4' energy: -87.724
flat angles P-C4'-P energy: -62.055
tors. eta vs tors. theta energy: -111.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 581
Temperature: 1.100000
Total energy: -1127.082045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.082045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.082045 (E_RNA)
where:
Base-Base interactions energy: -750.831
where: short stacking energy: -331.089
Base-Backbone interact. energy: 0.515
local terms energy: -376.766413
where:
bonds (distance) C4'-P energy: -67.117
bonds (distance) P-C4' energy: -80.135
flat angles C4'-P-C4' energy: -80.300
flat angles P-C4'-P energy: -51.387
tors. eta vs tors. theta energy: -97.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 581
Temperature: 1.150000
Total energy: -1002.926083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.926083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.926083 (E_RNA)
where:
Base-Base interactions energy: -659.282
where: short stacking energy: -281.328
Base-Backbone interact. energy: -0.612
local terms energy: -343.031162
where:
bonds (distance) C4'-P energy: -66.518
bonds (distance) P-C4' energy: -83.182
flat angles C4'-P-C4' energy: -70.846
flat angles P-C4'-P energy: -48.652
tors. eta vs tors. theta energy: -73.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 581
Temperature: 1.200000
Total energy: -771.971254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.971254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.971254 (E_RNA)
where:
Base-Base interactions energy: -462.389
where: short stacking energy: -220.077
Base-Backbone interact. energy: -2.260
local terms energy: -307.322401
where:
bonds (distance) C4'-P energy: -72.188
bonds (distance) P-C4' energy: -67.191
flat angles C4'-P-C4' energy: -71.297
flat angles P-C4'-P energy: -49.683
tors. eta vs tors. theta energy: -46.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 581
Temperature: 1.250000
Total energy: -560.383499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.383499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.383499 (E_RNA)
where:
Base-Base interactions energy: -287.259
where: short stacking energy: -150.013
Base-Backbone interact. energy: -1.310
local terms energy: -271.815273
where:
bonds (distance) C4'-P energy: -61.741
bonds (distance) P-C4' energy: -67.788
flat angles C4'-P-C4' energy: -70.690
flat angles P-C4'-P energy: -43.369
tors. eta vs tors. theta energy: -28.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 581
Temperature: 1.300000
Total energy: -351.416434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.416434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.416434 (E_RNA)
where:
Base-Base interactions energy: -137.461
where: short stacking energy: -106.582
Base-Backbone interact. energy: -1.759
local terms energy: -212.196587
where:
bonds (distance) C4'-P energy: -57.562
bonds (distance) P-C4' energy: -68.277
flat angles C4'-P-C4' energy: -77.135
flat angles P-C4'-P energy: -21.628
tors. eta vs tors. theta energy: 12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 581
Temperature: 1.350000
Total energy: -329.953114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.953114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.953114 (E_RNA)
where:
Base-Base interactions energy: -123.692
where: short stacking energy: -86.093
Base-Backbone interact. energy: 3.720
local terms energy: -209.981334
where:
bonds (distance) C4'-P energy: -62.739
bonds (distance) P-C4' energy: -76.246
flat angles C4'-P-C4' energy: -54.029
flat angles P-C4'-P energy: -23.121
tors. eta vs tors. theta energy: 6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 582
Temperature: 0.900000
Total energy: -1411.217170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.217170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.217170 (E_RNA)
where:
Base-Base interactions energy: -976.598
where: short stacking energy: -402.027
Base-Backbone interact. energy: -1.079
local terms energy: -433.540769
where:
bonds (distance) C4'-P energy: -80.590
bonds (distance) P-C4' energy: -71.070
flat angles C4'-P-C4' energy: -88.395
flat angles P-C4'-P energy: -70.996
tors. eta vs tors. theta energy: -122.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 582
Temperature: 0.950000
Total energy: -1337.665741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.665741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.665741 (E_RNA)
where:
Base-Base interactions energy: -906.387
where: short stacking energy: -365.796
Base-Backbone interact. energy: -2.262
local terms energy: -429.016245
where:
bonds (distance) C4'-P energy: -77.643
bonds (distance) P-C4' energy: -83.314
flat angles C4'-P-C4' energy: -90.659
flat angles P-C4'-P energy: -60.573
tors. eta vs tors. theta energy: -116.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 582
Temperature: 1.000000
Total energy: -1305.502579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.502579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.502579 (E_RNA)
where:
Base-Base interactions energy: -900.698
where: short stacking energy: -376.251
Base-Backbone interact. energy: 4.539
local terms energy: -409.343713
where:
bonds (distance) C4'-P energy: -78.605
bonds (distance) P-C4' energy: -74.600
flat angles C4'-P-C4' energy: -87.819
flat angles P-C4'-P energy: -53.747
tors. eta vs tors. theta energy: -114.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 582
Temperature: 1.050000
Total energy: -1293.606189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.606189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.606189 (E_RNA)
where:
Base-Base interactions energy: -869.167
where: short stacking energy: -365.864
Base-Backbone interact. energy: -2.536
local terms energy: -421.902815
where:
bonds (distance) C4'-P energy: -78.841
bonds (distance) P-C4' energy: -78.414
flat angles C4'-P-C4' energy: -89.778
flat angles P-C4'-P energy: -61.138
tors. eta vs tors. theta energy: -113.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 582
Temperature: 1.100000
Total energy: -1107.299662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.299662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.299662 (E_RNA)
where:
Base-Base interactions energy: -741.386
where: short stacking energy: -311.390
Base-Backbone interact. energy: 1.175
local terms energy: -367.087900
where:
bonds (distance) C4'-P energy: -72.192
bonds (distance) P-C4' energy: -81.679
flat angles C4'-P-C4' energy: -76.086
flat angles P-C4'-P energy: -45.997
tors. eta vs tors. theta energy: -91.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 582
Temperature: 1.150000
Total energy: -1020.155743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.155743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.155743 (E_RNA)
where:
Base-Base interactions energy: -683.629
where: short stacking energy: -296.153
Base-Backbone interact. energy: -1.618
local terms energy: -334.908707
where:
bonds (distance) C4'-P energy: -67.016
bonds (distance) P-C4' energy: -63.655
flat angles C4'-P-C4' energy: -68.015
flat angles P-C4'-P energy: -51.923
tors. eta vs tors. theta energy: -84.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 582
Temperature: 1.200000
Total energy: -779.886366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.886366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.886366 (E_RNA)
where:
Base-Base interactions energy: -484.762
where: short stacking energy: -196.960
Base-Backbone interact. energy: -1.512
local terms energy: -293.612400
where:
bonds (distance) C4'-P energy: -77.265
bonds (distance) P-C4' energy: -70.840
flat angles C4'-P-C4' energy: -66.295
flat angles P-C4'-P energy: -40.117
tors. eta vs tors. theta energy: -39.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 582
Temperature: 1.250000
Total energy: -567.503935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.503935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.503935 (E_RNA)
where:
Base-Base interactions energy: -313.646
where: short stacking energy: -152.180
Base-Backbone interact. energy: -2.620
local terms energy: -251.237581
where:
bonds (distance) C4'-P energy: -57.758
bonds (distance) P-C4' energy: -73.484
flat angles C4'-P-C4' energy: -71.503
flat angles P-C4'-P energy: -32.637
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 582
Temperature: 1.300000
Total energy: -315.656062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.656062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.656062 (E_RNA)
where:
Base-Base interactions energy: -104.025
where: short stacking energy: -89.316
Base-Backbone interact. energy: -0.756
local terms energy: -210.874743
where:
bonds (distance) C4'-P energy: -68.629
bonds (distance) P-C4' energy: -71.886
flat angles C4'-P-C4' energy: -42.994
flat angles P-C4'-P energy: -37.380
tors. eta vs tors. theta energy: 10.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 582
Temperature: 1.350000
Total energy: -329.186075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.186075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.186075 (E_RNA)
where:
Base-Base interactions energy: -113.826
where: short stacking energy: -82.015
Base-Backbone interact. energy: -1.812
local terms energy: -213.548002
where:
bonds (distance) C4'-P energy: -69.950
bonds (distance) P-C4' energy: -66.478
flat angles C4'-P-C4' energy: -58.453
flat angles P-C4'-P energy: -34.247
tors. eta vs tors. theta energy: 15.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 583
Temperature: 0.900000
Total energy: -1403.873594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.873594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.873594 (E_RNA)
where:
Base-Base interactions energy: -972.275
where: short stacking energy: -404.128
Base-Backbone interact. energy: -0.553
local terms energy: -431.044985
where:
bonds (distance) C4'-P energy: -82.162
bonds (distance) P-C4' energy: -76.501
flat angles C4'-P-C4' energy: -86.575
flat angles P-C4'-P energy: -58.457
tors. eta vs tors. theta energy: -127.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 583
Temperature: 0.950000
Total energy: -1374.438837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.438837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.438837 (E_RNA)
where:
Base-Base interactions energy: -933.008
where: short stacking energy: -399.059
Base-Backbone interact. energy: -3.106
local terms energy: -438.324636
where:
bonds (distance) C4'-P energy: -82.437
bonds (distance) P-C4' energy: -73.753
flat angles C4'-P-C4' energy: -88.833
flat angles P-C4'-P energy: -68.149
tors. eta vs tors. theta energy: -125.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 583
Temperature: 1.000000
Total energy: -1305.483991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.483991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.483991 (E_RNA)
where:
Base-Base interactions energy: -896.309
where: short stacking energy: -350.577
Base-Backbone interact. energy: -2.192
local terms energy: -406.982532
where:
bonds (distance) C4'-P energy: -70.363
bonds (distance) P-C4' energy: -78.753
flat angles C4'-P-C4' energy: -90.352
flat angles P-C4'-P energy: -57.062
tors. eta vs tors. theta energy: -110.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 583
Temperature: 1.050000
Total energy: -1270.414517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.414517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.414517 (E_RNA)
where:
Base-Base interactions energy: -873.113
where: short stacking energy: -363.089
Base-Backbone interact. energy: 0.765
local terms energy: -398.066705
where:
bonds (distance) C4'-P energy: -65.283
bonds (distance) P-C4' energy: -80.709
flat angles C4'-P-C4' energy: -79.946
flat angles P-C4'-P energy: -61.809
tors. eta vs tors. theta energy: -110.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 583
Temperature: 1.100000
Total energy: -1111.387290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.387290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.387290 (E_RNA)
where:
Base-Base interactions energy: -730.388
where: short stacking energy: -323.032
Base-Backbone interact. energy: 0.997
local terms energy: -381.996820
where:
bonds (distance) C4'-P energy: -66.082
bonds (distance) P-C4' energy: -72.146
flat angles C4'-P-C4' energy: -81.705
flat angles P-C4'-P energy: -56.856
tors. eta vs tors. theta energy: -105.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 583
Temperature: 1.150000
Total energy: -1023.246441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.246441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.246441 (E_RNA)
where:
Base-Base interactions energy: -676.054
where: short stacking energy: -283.785
Base-Backbone interact. energy: -2.180
local terms energy: -345.012859
where:
bonds (distance) C4'-P energy: -58.784
bonds (distance) P-C4' energy: -80.862
flat angles C4'-P-C4' energy: -75.074
flat angles P-C4'-P energy: -48.028
tors. eta vs tors. theta energy: -82.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 583
Temperature: 1.200000
Total energy: -826.641311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.641311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.641311 (E_RNA)
where:
Base-Base interactions energy: -519.437
where: short stacking energy: -243.070
Base-Backbone interact. energy: -0.197
local terms energy: -307.007589
where:
bonds (distance) C4'-P energy: -63.837
bonds (distance) P-C4' energy: -77.558
flat angles C4'-P-C4' energy: -72.000
flat angles P-C4'-P energy: -32.890
tors. eta vs tors. theta energy: -60.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 583
Temperature: 1.250000
Total energy: -600.067505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.067505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.067505 (E_RNA)
where:
Base-Base interactions energy: -312.682
where: short stacking energy: -163.608
Base-Backbone interact. energy: -2.614
local terms energy: -284.770886
where:
bonds (distance) C4'-P energy: -52.949
bonds (distance) P-C4' energy: -71.235
flat angles C4'-P-C4' energy: -69.233
flat angles P-C4'-P energy: -48.483
tors. eta vs tors. theta energy: -42.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 583
Temperature: 1.300000
Total energy: -342.768091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.768091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.768091 (E_RNA)
where:
Base-Base interactions energy: -124.918
where: short stacking energy: -110.194
Base-Backbone interact. energy: 1.474
local terms energy: -219.324432
where:
bonds (distance) C4'-P energy: -58.107
bonds (distance) P-C4' energy: -65.144
flat angles C4'-P-C4' energy: -61.461
flat angles P-C4'-P energy: -38.475
tors. eta vs tors. theta energy: 3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 583
Temperature: 1.350000
Total energy: -311.402364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.402364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.402364 (E_RNA)
where:
Base-Base interactions energy: -116.001
where: short stacking energy: -105.762
Base-Backbone interact. energy: 2.127
local terms energy: -197.528026
where:
bonds (distance) C4'-P energy: -50.334
bonds (distance) P-C4' energy: -70.401
flat angles C4'-P-C4' energy: -66.072
flat angles P-C4'-P energy: -31.857
tors. eta vs tors. theta energy: 21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 584
Temperature: 0.900000
Total energy: -1422.504468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.504468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.504468 (E_RNA)
where:
Base-Base interactions energy: -974.690
where: short stacking energy: -419.169
Base-Backbone interact. energy: -1.706
local terms energy: -446.108636
where:
bonds (distance) C4'-P energy: -85.301
bonds (distance) P-C4' energy: -76.098
flat angles C4'-P-C4' energy: -97.033
flat angles P-C4'-P energy: -64.215
tors. eta vs tors. theta energy: -123.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 584
Temperature: 0.950000
Total energy: -1379.301232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.301232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.301232 (E_RNA)
where:
Base-Base interactions energy: -949.262
where: short stacking energy: -407.735
Base-Backbone interact. energy: -1.543
local terms energy: -428.495884
where:
bonds (distance) C4'-P energy: -82.555
bonds (distance) P-C4' energy: -80.350
flat angles C4'-P-C4' energy: -79.391
flat angles P-C4'-P energy: -60.366
tors. eta vs tors. theta energy: -125.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 584
Temperature: 1.000000
Total energy: -1323.404239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.404239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.404239 (E_RNA)
where:
Base-Base interactions energy: -910.841
where: short stacking energy: -360.946
Base-Backbone interact. energy: -1.366
local terms energy: -411.197361
where:
bonds (distance) C4'-P energy: -80.875
bonds (distance) P-C4' energy: -79.846
flat angles C4'-P-C4' energy: -82.224
flat angles P-C4'-P energy: -52.306
tors. eta vs tors. theta energy: -115.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 584
Temperature: 1.050000
Total energy: -1284.071987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.071987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.071987 (E_RNA)
where:
Base-Base interactions energy: -872.771
where: short stacking energy: -358.071
Base-Backbone interact. energy: -0.218
local terms energy: -411.082694
where:
bonds (distance) C4'-P energy: -75.687
bonds (distance) P-C4' energy: -73.751
flat angles C4'-P-C4' energy: -80.735
flat angles P-C4'-P energy: -62.234
tors. eta vs tors. theta energy: -118.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 584
Temperature: 1.100000
Total energy: -1098.643359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.643359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.643359 (E_RNA)
where:
Base-Base interactions energy: -720.940
where: short stacking energy: -289.491
Base-Backbone interact. energy: -2.183
local terms energy: -375.520290
where:
bonds (distance) C4'-P energy: -76.624
bonds (distance) P-C4' energy: -77.825
flat angles C4'-P-C4' energy: -83.432
flat angles P-C4'-P energy: -53.846
tors. eta vs tors. theta energy: -83.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 584
Temperature: 1.150000
Total energy: -1077.990991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.990991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.990991 (E_RNA)
where:
Base-Base interactions energy: -728.558
where: short stacking energy: -316.888
Base-Backbone interact. energy: 1.344
local terms energy: -350.777018
where:
bonds (distance) C4'-P energy: -65.087
bonds (distance) P-C4' energy: -76.747
flat angles C4'-P-C4' energy: -75.475
flat angles P-C4'-P energy: -44.643
tors. eta vs tors. theta energy: -88.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 584
Temperature: 1.200000
Total energy: -833.185934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.185934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.185934 (E_RNA)
where:
Base-Base interactions energy: -527.859
where: short stacking energy: -232.217
Base-Backbone interact. energy: -0.875
local terms energy: -304.451754
where:
bonds (distance) C4'-P energy: -69.419
bonds (distance) P-C4' energy: -63.470
flat angles C4'-P-C4' energy: -71.554
flat angles P-C4'-P energy: -37.372
tors. eta vs tors. theta energy: -62.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 584
Temperature: 1.250000
Total energy: -586.018974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.018974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.018974 (E_RNA)
where:
Base-Base interactions energy: -329.783
where: short stacking energy: -157.909
Base-Backbone interact. energy: -1.906
local terms energy: -254.330302
where:
bonds (distance) C4'-P energy: -66.981
bonds (distance) P-C4' energy: -70.995
flat angles C4'-P-C4' energy: -62.465
flat angles P-C4'-P energy: -42.693
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 584
Temperature: 1.300000
Total energy: -347.823521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.823521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.823521 (E_RNA)
where:
Base-Base interactions energy: -137.472
where: short stacking energy: -119.457
Base-Backbone interact. energy: 5.507
local terms energy: -215.858488
where:
bonds (distance) C4'-P energy: -70.233
bonds (distance) P-C4' energy: -70.910
flat angles C4'-P-C4' energy: -51.951
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: 5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 584
Temperature: 1.350000
Total energy: -299.102597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.102597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.102597 (E_RNA)
where:
Base-Base interactions energy: -101.992
where: short stacking energy: -68.803
Base-Backbone interact. energy: -3.263
local terms energy: -193.847807
where:
bonds (distance) C4'-P energy: -64.125
bonds (distance) P-C4' energy: -68.010
flat angles C4'-P-C4' energy: -56.060
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: 25.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 585
Temperature: 0.900000
Total energy: -1419.448555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.448555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.448555 (E_RNA)
where:
Base-Base interactions energy: -1000.560
where: short stacking energy: -427.664
Base-Backbone interact. energy: -0.659
local terms energy: -418.230377
where:
bonds (distance) C4'-P energy: -83.571
bonds (distance) P-C4' energy: -74.215
flat angles C4'-P-C4' energy: -91.604
flat angles P-C4'-P energy: -47.759
tors. eta vs tors. theta energy: -121.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 585
Temperature: 0.950000
Total energy: -1370.311498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.311498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.311498 (E_RNA)
where:
Base-Base interactions energy: -934.656
where: short stacking energy: -403.017
Base-Backbone interact. energy: -1.815
local terms energy: -433.840579
where:
bonds (distance) C4'-P energy: -84.305
bonds (distance) P-C4' energy: -79.972
flat angles C4'-P-C4' energy: -87.289
flat angles P-C4'-P energy: -63.362
tors. eta vs tors. theta energy: -118.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 585
Temperature: 1.000000
Total energy: -1276.064925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.064925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.064925 (E_RNA)
where:
Base-Base interactions energy: -869.463
where: short stacking energy: -344.098
Base-Backbone interact. energy: 1.490
local terms energy: -408.091593
where:
bonds (distance) C4'-P energy: -85.191
bonds (distance) P-C4' energy: -76.687
flat angles C4'-P-C4' energy: -86.451
flat angles P-C4'-P energy: -46.383
tors. eta vs tors. theta energy: -113.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 585
Temperature: 1.050000
Total energy: -1305.111905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.111905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.111905 (E_RNA)
where:
Base-Base interactions energy: -877.962
where: short stacking energy: -379.248
Base-Backbone interact. energy: -2.400
local terms energy: -424.750098
where:
bonds (distance) C4'-P energy: -79.225
bonds (distance) P-C4' energy: -83.411
flat angles C4'-P-C4' energy: -83.084
flat angles P-C4'-P energy: -61.470
tors. eta vs tors. theta energy: -117.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 585
Temperature: 1.100000
Total energy: -1146.548450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.548450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.548450 (E_RNA)
where:
Base-Base interactions energy: -766.421
where: short stacking energy: -331.729
Base-Backbone interact. energy: -1.933
local terms energy: -378.194945
where:
bonds (distance) C4'-P energy: -71.756
bonds (distance) P-C4' energy: -72.598
flat angles C4'-P-C4' energy: -84.513
flat angles P-C4'-P energy: -43.902
tors. eta vs tors. theta energy: -105.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 585
Temperature: 1.150000
Total energy: -1013.045544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.045544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.045544 (E_RNA)
where:
Base-Base interactions energy: -682.881
where: short stacking energy: -291.005
Base-Backbone interact. energy: -0.755
local terms energy: -329.409254
where:
bonds (distance) C4'-P energy: -61.066
bonds (distance) P-C4' energy: -67.165
flat angles C4'-P-C4' energy: -76.133
flat angles P-C4'-P energy: -48.054
tors. eta vs tors. theta energy: -76.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 585
Temperature: 1.200000
Total energy: -811.942486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.942486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.942486 (E_RNA)
where:
Base-Base interactions energy: -493.437
where: short stacking energy: -238.578
Base-Backbone interact. energy: -0.647
local terms energy: -317.858072
where:
bonds (distance) C4'-P energy: -56.310
bonds (distance) P-C4' energy: -71.975
flat angles C4'-P-C4' energy: -72.743
flat angles P-C4'-P energy: -41.987
tors. eta vs tors. theta energy: -74.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 585
Temperature: 1.250000
Total energy: -581.820830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.820830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.820830 (E_RNA)
where:
Base-Base interactions energy: -329.906
where: short stacking energy: -163.823
Base-Backbone interact. energy: 0.929
local terms energy: -252.843780
where:
bonds (distance) C4'-P energy: -70.310
bonds (distance) P-C4' energy: -68.476
flat angles C4'-P-C4' energy: -67.570
flat angles P-C4'-P energy: -31.345
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 585
Temperature: 1.300000
Total energy: -342.509109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.509109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.509109 (E_RNA)
where:
Base-Base interactions energy: -127.664
where: short stacking energy: -87.189
Base-Backbone interact. energy: -1.619
local terms energy: -213.226380
where:
bonds (distance) C4'-P energy: -66.947
bonds (distance) P-C4' energy: -67.232
flat angles C4'-P-C4' energy: -53.407
flat angles P-C4'-P energy: -31.067
tors. eta vs tors. theta energy: 5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 585
Temperature: 1.350000
Total energy: -313.755409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.755409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.755409 (E_RNA)
where:
Base-Base interactions energy: -118.506
where: short stacking energy: -86.240
Base-Backbone interact. energy: 0.586
local terms energy: -195.835826
where:
bonds (distance) C4'-P energy: -59.265
bonds (distance) P-C4' energy: -59.839
flat angles C4'-P-C4' energy: -46.530
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: 9.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 586
Temperature: 0.900000
Total energy: -1399.767260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.767260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.767260 (E_RNA)
where:
Base-Base interactions energy: -954.264
where: short stacking energy: -388.164
Base-Backbone interact. energy: -1.827
local terms energy: -443.676100
where:
bonds (distance) C4'-P energy: -75.681
bonds (distance) P-C4' energy: -86.812
flat angles C4'-P-C4' energy: -90.597
flat angles P-C4'-P energy: -68.198
tors. eta vs tors. theta energy: -122.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 586
Temperature: 0.950000
Total energy: -1398.709834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.709834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.709834 (E_RNA)
where:
Base-Base interactions energy: -976.700
where: short stacking energy: -408.044
Base-Backbone interact. energy: 1.691
local terms energy: -423.701096
where:
bonds (distance) C4'-P energy: -78.108
bonds (distance) P-C4' energy: -89.171
flat angles C4'-P-C4' energy: -82.938
flat angles P-C4'-P energy: -48.462
tors. eta vs tors. theta energy: -125.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 586
Temperature: 1.000000
Total energy: -1273.905181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.905181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.905181 (E_RNA)
where:
Base-Base interactions energy: -846.521
where: short stacking energy: -353.969
Base-Backbone interact. energy: -0.611
local terms energy: -426.773583
where:
bonds (distance) C4'-P energy: -88.575
bonds (distance) P-C4' energy: -80.263
flat angles C4'-P-C4' energy: -93.725
flat angles P-C4'-P energy: -51.860
tors. eta vs tors. theta energy: -112.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 586
Temperature: 1.050000
Total energy: -1268.680023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.680023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.680023 (E_RNA)
where:
Base-Base interactions energy: -867.763
where: short stacking energy: -361.322
Base-Backbone interact. energy: -2.348
local terms energy: -398.569205
where:
bonds (distance) C4'-P energy: -64.753
bonds (distance) P-C4' energy: -75.417
flat angles C4'-P-C4' energy: -85.507
flat angles P-C4'-P energy: -57.575
tors. eta vs tors. theta energy: -115.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 586
Temperature: 1.100000
Total energy: -1107.010493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.010493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.010493 (E_RNA)
where:
Base-Base interactions energy: -730.300
where: short stacking energy: -305.617
Base-Backbone interact. energy: -1.847
local terms energy: -374.863208
where:
bonds (distance) C4'-P energy: -71.844
bonds (distance) P-C4' energy: -67.741
flat angles C4'-P-C4' energy: -87.887
flat angles P-C4'-P energy: -49.268
tors. eta vs tors. theta energy: -98.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 586
Temperature: 1.150000
Total energy: -973.907163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.907163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.907163 (E_RNA)
where:
Base-Base interactions energy: -614.685
where: short stacking energy: -259.568
Base-Backbone interact. energy: -0.610
local terms energy: -358.611776
where:
bonds (distance) C4'-P energy: -72.209
bonds (distance) P-C4' energy: -80.887
flat angles C4'-P-C4' energy: -79.332
flat angles P-C4'-P energy: -47.462
tors. eta vs tors. theta energy: -78.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 586
Temperature: 1.200000
Total energy: -813.973127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.973127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.973127 (E_RNA)
where:
Base-Base interactions energy: -509.355
where: short stacking energy: -228.702
Base-Backbone interact. energy: 0.650
local terms energy: -305.268269
where:
bonds (distance) C4'-P energy: -69.203
bonds (distance) P-C4' energy: -72.444
flat angles C4'-P-C4' energy: -62.540
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -61.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 586
Temperature: 1.250000
Total energy: -597.959521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.959521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.959521 (E_RNA)
where:
Base-Base interactions energy: -346.743
where: short stacking energy: -169.542
Base-Backbone interact. energy: -2.984
local terms energy: -248.231698
where:
bonds (distance) C4'-P energy: -60.423
bonds (distance) P-C4' energy: -74.200
flat angles C4'-P-C4' energy: -58.991
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 586
Temperature: 1.300000
Total energy: -351.544716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.544716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.544716 (E_RNA)
where:
Base-Base interactions energy: -118.550
where: short stacking energy: -89.204
Base-Backbone interact. energy: 0.257
local terms energy: -233.251361
where:
bonds (distance) C4'-P energy: -71.559
bonds (distance) P-C4' energy: -83.659
flat angles C4'-P-C4' energy: -50.852
flat angles P-C4'-P energy: -35.962
tors. eta vs tors. theta energy: 8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 586
Temperature: 1.350000
Total energy: -311.921026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.921026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.921026 (E_RNA)
where:
Base-Base interactions energy: -100.559
where: short stacking energy: -94.114
Base-Backbone interact. energy: -0.331
local terms energy: -211.030924
where:
bonds (distance) C4'-P energy: -64.683
bonds (distance) P-C4' energy: -68.441
flat angles C4'-P-C4' energy: -60.957
flat angles P-C4'-P energy: -24.064
tors. eta vs tors. theta energy: 7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 587
Temperature: 0.900000
Total energy: -1373.353513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.353513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.353513 (E_RNA)
where:
Base-Base interactions energy: -952.097
where: short stacking energy: -397.840
Base-Backbone interact. energy: 1.292
local terms energy: -422.548326
where:
bonds (distance) C4'-P energy: -76.701
bonds (distance) P-C4' energy: -78.570
flat angles C4'-P-C4' energy: -85.912
flat angles P-C4'-P energy: -63.403
tors. eta vs tors. theta energy: -117.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 587
Temperature: 0.950000
Total energy: -1399.132639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.132639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.132639 (E_RNA)
where:
Base-Base interactions energy: -959.851
where: short stacking energy: -407.777
Base-Backbone interact. energy: -1.462
local terms energy: -437.819521
where:
bonds (distance) C4'-P energy: -81.220
bonds (distance) P-C4' energy: -74.939
flat angles C4'-P-C4' energy: -86.937
flat angles P-C4'-P energy: -65.335
tors. eta vs tors. theta energy: -129.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 587
Temperature: 1.000000
Total energy: -1289.586497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.586497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.586497 (E_RNA)
where:
Base-Base interactions energy: -885.753
where: short stacking energy: -346.211
Base-Backbone interact. energy: -1.916
local terms energy: -401.917611
where:
bonds (distance) C4'-P energy: -87.610
bonds (distance) P-C4' energy: -71.551
flat angles C4'-P-C4' energy: -81.309
flat angles P-C4'-P energy: -57.663
tors. eta vs tors. theta energy: -103.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 587
Temperature: 1.050000
Total energy: -1283.874696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.874696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.874696 (E_RNA)
where:
Base-Base interactions energy: -877.946
where: short stacking energy: -362.610
Base-Backbone interact. energy: -2.405
local terms energy: -403.523429
where:
bonds (distance) C4'-P energy: -72.485
bonds (distance) P-C4' energy: -81.138
flat angles C4'-P-C4' energy: -79.900
flat angles P-C4'-P energy: -56.772
tors. eta vs tors. theta energy: -113.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 587
Temperature: 1.100000
Total energy: -1136.773488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.773488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.773488 (E_RNA)
where:
Base-Base interactions energy: -768.779
where: short stacking energy: -318.418
Base-Backbone interact. energy: -0.596
local terms energy: -367.398317
where:
bonds (distance) C4'-P energy: -66.377
bonds (distance) P-C4' energy: -62.178
flat angles C4'-P-C4' energy: -85.510
flat angles P-C4'-P energy: -51.832
tors. eta vs tors. theta energy: -101.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 587
Temperature: 1.150000
Total energy: -976.771116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.771116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.771116 (E_RNA)
where:
Base-Base interactions energy: -654.670
where: short stacking energy: -287.893
Base-Backbone interact. energy: -0.518
local terms energy: -321.583370
where:
bonds (distance) C4'-P energy: -72.045
bonds (distance) P-C4' energy: -62.766
flat angles C4'-P-C4' energy: -71.819
flat angles P-C4'-P energy: -43.301
tors. eta vs tors. theta energy: -71.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 587
Temperature: 1.200000
Total energy: -792.011571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.011571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.011571 (E_RNA)
where:
Base-Base interactions energy: -503.786
where: short stacking energy: -245.966
Base-Backbone interact. energy: 2.564
local terms energy: -290.788969
where:
bonds (distance) C4'-P energy: -58.290
bonds (distance) P-C4' energy: -77.342
flat angles C4'-P-C4' energy: -68.929
flat angles P-C4'-P energy: -49.120
tors. eta vs tors. theta energy: -37.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 587
Temperature: 1.250000
Total energy: -552.419723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.419723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.419723 (E_RNA)
where:
Base-Base interactions energy: -318.482
where: short stacking energy: -153.380
Base-Backbone interact. energy: -1.629
local terms energy: -232.308866
where:
bonds (distance) C4'-P energy: -54.301
bonds (distance) P-C4' energy: -67.382
flat angles C4'-P-C4' energy: -67.652
flat angles P-C4'-P energy: -36.276
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 587
Temperature: 1.300000
Total energy: -330.122529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.122529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.122529 (E_RNA)
where:
Base-Base interactions energy: -113.299
where: short stacking energy: -106.787
Base-Backbone interact. energy: 0.081
local terms energy: -216.905070
where:
bonds (distance) C4'-P energy: -66.908
bonds (distance) P-C4' energy: -70.139
flat angles C4'-P-C4' energy: -44.323
flat angles P-C4'-P energy: -27.426
tors. eta vs tors. theta energy: -8.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 587
Temperature: 1.350000
Total energy: -323.203098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.203098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.203098 (E_RNA)
where:
Base-Base interactions energy: -95.868
where: short stacking energy: -91.856
Base-Backbone interact. energy: -0.362
local terms energy: -226.972723
where:
bonds (distance) C4'-P energy: -69.147
bonds (distance) P-C4' energy: -72.293
flat angles C4'-P-C4' energy: -51.282
flat angles P-C4'-P energy: -40.682
tors. eta vs tors. theta energy: 6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 588
Temperature: 0.900000
Total energy: -1411.501767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.501767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.501767 (E_RNA)
where:
Base-Base interactions energy: -983.404
where: short stacking energy: -429.900
Base-Backbone interact. energy: -1.397
local terms energy: -426.701037
where:
bonds (distance) C4'-P energy: -74.131
bonds (distance) P-C4' energy: -71.676
flat angles C4'-P-C4' energy: -95.874
flat angles P-C4'-P energy: -59.725
tors. eta vs tors. theta energy: -125.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 588
Temperature: 0.950000
Total energy: -1347.176057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.176057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.176057 (E_RNA)
where:
Base-Base interactions energy: -939.879
where: short stacking energy: -381.503
Base-Backbone interact. energy: -1.407
local terms energy: -405.890010
where:
bonds (distance) C4'-P energy: -77.255
bonds (distance) P-C4' energy: -75.328
flat angles C4'-P-C4' energy: -89.672
flat angles P-C4'-P energy: -44.525
tors. eta vs tors. theta energy: -119.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 588
Temperature: 1.000000
Total energy: -1273.595789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.595789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.595789 (E_RNA)
where:
Base-Base interactions energy: -879.718
where: short stacking energy: -348.226
Base-Backbone interact. energy: -0.831
local terms energy: -393.047005
where:
bonds (distance) C4'-P energy: -62.851
bonds (distance) P-C4' energy: -61.059
flat angles C4'-P-C4' energy: -93.236
flat angles P-C4'-P energy: -66.665
tors. eta vs tors. theta energy: -109.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 588
Temperature: 1.050000
Total energy: -1248.403110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.403110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.403110 (E_RNA)
where:
Base-Base interactions energy: -845.853
where: short stacking energy: -362.475
Base-Backbone interact. energy: -0.485
local terms energy: -402.064567
where:
bonds (distance) C4'-P energy: -78.943
bonds (distance) P-C4' energy: -70.278
flat angles C4'-P-C4' energy: -88.178
flat angles P-C4'-P energy: -53.357
tors. eta vs tors. theta energy: -111.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 588
Temperature: 1.100000
Total energy: -1165.541720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.541720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.541720 (E_RNA)
where:
Base-Base interactions energy: -787.043
where: short stacking energy: -325.867
Base-Backbone interact. energy: -1.168
local terms energy: -377.331150
where:
bonds (distance) C4'-P energy: -78.695
bonds (distance) P-C4' energy: -77.495
flat angles C4'-P-C4' energy: -75.526
flat angles P-C4'-P energy: -44.728
tors. eta vs tors. theta energy: -100.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 588
Temperature: 1.150000
Total energy: -997.008686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.008686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.008686 (E_RNA)
where:
Base-Base interactions energy: -642.869
where: short stacking energy: -281.547
Base-Backbone interact. energy: 1.563
local terms energy: -355.702196
where:
bonds (distance) C4'-P energy: -67.584
bonds (distance) P-C4' energy: -79.196
flat angles C4'-P-C4' energy: -82.453
flat angles P-C4'-P energy: -49.936
tors. eta vs tors. theta energy: -76.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 588
Temperature: 1.200000
Total energy: -777.812085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.812085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.812085 (E_RNA)
where:
Base-Base interactions energy: -478.138
where: short stacking energy: -205.965
Base-Backbone interact. energy: -1.707
local terms energy: -297.967354
where:
bonds (distance) C4'-P energy: -72.765
bonds (distance) P-C4' energy: -73.079
flat angles C4'-P-C4' energy: -63.409
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -46.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 588
Temperature: 1.250000
Total energy: -543.079881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.079881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.079881 (E_RNA)
where:
Base-Base interactions energy: -302.851
where: short stacking energy: -165.566
Base-Backbone interact. energy: 3.988
local terms energy: -244.216454
where:
bonds (distance) C4'-P energy: -66.240
bonds (distance) P-C4' energy: -63.205
flat angles C4'-P-C4' energy: -63.624
flat angles P-C4'-P energy: -37.816
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 588
Temperature: 1.300000
Total energy: -366.265937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.265937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.265937 (E_RNA)
where:
Base-Base interactions energy: -131.840
where: short stacking energy: -89.423
Base-Backbone interact. energy: -0.858
local terms energy: -233.567549
where:
bonds (distance) C4'-P energy: -53.466
bonds (distance) P-C4' energy: -80.168
flat angles C4'-P-C4' energy: -63.903
flat angles P-C4'-P energy: -42.024
tors. eta vs tors. theta energy: 5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 588
Temperature: 1.350000
Total energy: -334.513193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.513193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.513193 (E_RNA)
where:
Base-Base interactions energy: -114.372
where: short stacking energy: -84.620
Base-Backbone interact. energy: -0.480
local terms energy: -219.661185
where:
bonds (distance) C4'-P energy: -75.798
bonds (distance) P-C4' energy: -79.917
flat angles C4'-P-C4' energy: -54.209
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: 8.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 589
Temperature: 0.900000
Total energy: -1411.216267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.216267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.216267 (E_RNA)
where:
Base-Base interactions energy: -950.345
where: short stacking energy: -415.404
Base-Backbone interact. energy: -1.564
local terms energy: -459.307159
where:
bonds (distance) C4'-P energy: -80.427
bonds (distance) P-C4' energy: -80.202
flat angles C4'-P-C4' energy: -96.299
flat angles P-C4'-P energy: -69.359
tors. eta vs tors. theta energy: -133.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 589
Temperature: 0.950000
Total energy: -1365.765793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.765793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.765793 (E_RNA)
where:
Base-Base interactions energy: -948.603
where: short stacking energy: -384.725
Base-Backbone interact. energy: 0.558
local terms energy: -417.721266
where:
bonds (distance) C4'-P energy: -77.923
bonds (distance) P-C4' energy: -76.271
flat angles C4'-P-C4' energy: -86.766
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -121.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 589
Temperature: 1.000000
Total energy: -1292.456613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.456613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.456613 (E_RNA)
where:
Base-Base interactions energy: -886.240
where: short stacking energy: -356.722
Base-Backbone interact. energy: -1.213
local terms energy: -405.004085
where:
bonds (distance) C4'-P energy: -70.085
bonds (distance) P-C4' energy: -80.868
flat angles C4'-P-C4' energy: -87.397
flat angles P-C4'-P energy: -58.563
tors. eta vs tors. theta energy: -108.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 589
Temperature: 1.050000
Total energy: -1240.575073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.575073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.575073 (E_RNA)
where:
Base-Base interactions energy: -862.891
where: short stacking energy: -360.294
Base-Backbone interact. energy: -1.235
local terms energy: -376.449375
where:
bonds (distance) C4'-P energy: -70.719
bonds (distance) P-C4' energy: -65.750
flat angles C4'-P-C4' energy: -85.320
flat angles P-C4'-P energy: -50.557
tors. eta vs tors. theta energy: -104.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 589
Temperature: 1.100000
Total energy: -1166.158797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.158797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.158797 (E_RNA)
where:
Base-Base interactions energy: -783.102
where: short stacking energy: -339.006
Base-Backbone interact. energy: -1.232
local terms energy: -381.824677
where:
bonds (distance) C4'-P energy: -59.988
bonds (distance) P-C4' energy: -80.370
flat angles C4'-P-C4' energy: -80.845
flat angles P-C4'-P energy: -48.529
tors. eta vs tors. theta energy: -112.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 589
Temperature: 1.150000
Total energy: -1018.758142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.758142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.758142 (E_RNA)
where:
Base-Base interactions energy: -653.552
where: short stacking energy: -294.954
Base-Backbone interact. energy: -1.446
local terms energy: -363.760095
where:
bonds (distance) C4'-P energy: -68.441
bonds (distance) P-C4' energy: -77.514
flat angles C4'-P-C4' energy: -76.617
flat angles P-C4'-P energy: -51.789
tors. eta vs tors. theta energy: -89.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 589
Temperature: 1.200000
Total energy: -775.084128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.084128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.084128 (E_RNA)
where:
Base-Base interactions energy: -477.887
where: short stacking energy: -202.350
Base-Backbone interact. energy: -1.286
local terms energy: -295.911741
where:
bonds (distance) C4'-P energy: -62.088
bonds (distance) P-C4' energy: -70.512
flat angles C4'-P-C4' energy: -73.767
flat angles P-C4'-P energy: -49.121
tors. eta vs tors. theta energy: -40.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 589
Temperature: 1.250000
Total energy: -540.710171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.710171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.710171 (E_RNA)
where:
Base-Base interactions energy: -287.156
where: short stacking energy: -161.054
Base-Backbone interact. energy: -0.100
local terms energy: -253.454052
where:
bonds (distance) C4'-P energy: -55.713
bonds (distance) P-C4' energy: -75.991
flat angles C4'-P-C4' energy: -69.047
flat angles P-C4'-P energy: -36.736
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 589
Temperature: 1.300000
Total energy: -348.122477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.122477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.122477 (E_RNA)
where:
Base-Base interactions energy: -133.651
where: short stacking energy: -100.552
Base-Backbone interact. energy: 6.482
local terms energy: -220.953569
where:
bonds (distance) C4'-P energy: -62.839
bonds (distance) P-C4' energy: -71.486
flat angles C4'-P-C4' energy: -61.174
flat angles P-C4'-P energy: -32.014
tors. eta vs tors. theta energy: 6.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 589
Temperature: 1.350000
Total energy: -314.001039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.001039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.001039 (E_RNA)
where:
Base-Base interactions energy: -109.364
where: short stacking energy: -93.427
Base-Backbone interact. energy: -0.152
local terms energy: -204.484610
where:
bonds (distance) C4'-P energy: -63.672
bonds (distance) P-C4' energy: -73.955
flat angles C4'-P-C4' energy: -42.376
flat angles P-C4'-P energy: -29.386
tors. eta vs tors. theta energy: 4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 590
Temperature: 0.900000
Total energy: -1421.260593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.260593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.260593 (E_RNA)
where:
Base-Base interactions energy: -962.997
where: short stacking energy: -406.542
Base-Backbone interact. energy: -1.913
local terms energy: -456.350191
where:
bonds (distance) C4'-P energy: -84.851
bonds (distance) P-C4' energy: -86.914
flat angles C4'-P-C4' energy: -85.504
flat angles P-C4'-P energy: -66.304
tors. eta vs tors. theta energy: -132.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 590
Temperature: 0.950000
Total energy: -1371.262337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.262337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.262337 (E_RNA)
where:
Base-Base interactions energy: -951.189
where: short stacking energy: -400.938
Base-Backbone interact. energy: -0.406
local terms energy: -419.667329
where:
bonds (distance) C4'-P energy: -78.566
bonds (distance) P-C4' energy: -82.655
flat angles C4'-P-C4' energy: -80.151
flat angles P-C4'-P energy: -54.713
tors. eta vs tors. theta energy: -123.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 590
Temperature: 1.000000
Total energy: -1298.952693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.952693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.952693 (E_RNA)
where:
Base-Base interactions energy: -881.677
where: short stacking energy: -366.939
Base-Backbone interact. energy: -2.634
local terms energy: -414.641309
where:
bonds (distance) C4'-P energy: -78.895
bonds (distance) P-C4' energy: -89.244
flat angles C4'-P-C4' energy: -92.384
flat angles P-C4'-P energy: -40.633
tors. eta vs tors. theta energy: -113.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 590
Temperature: 1.050000
Total energy: -1243.911922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.911922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.911922 (E_RNA)
where:
Base-Base interactions energy: -815.983
where: short stacking energy: -345.160
Base-Backbone interact. energy: -0.492
local terms energy: -427.436814
where:
bonds (distance) C4'-P energy: -78.723
bonds (distance) P-C4' energy: -86.971
flat angles C4'-P-C4' energy: -88.098
flat angles P-C4'-P energy: -60.644
tors. eta vs tors. theta energy: -113.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 590
Temperature: 1.100000
Total energy: -1143.800559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.800559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.800559 (E_RNA)
where:
Base-Base interactions energy: -758.828
where: short stacking energy: -318.873
Base-Backbone interact. energy: -0.018
local terms energy: -384.954083
where:
bonds (distance) C4'-P energy: -74.806
bonds (distance) P-C4' energy: -71.730
flat angles C4'-P-C4' energy: -77.597
flat angles P-C4'-P energy: -57.981
tors. eta vs tors. theta energy: -102.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 590
Temperature: 1.150000
Total energy: -1008.087395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.087395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.087395 (E_RNA)
where:
Base-Base interactions energy: -660.487
where: short stacking energy: -260.298
Base-Backbone interact. energy: -2.113
local terms energy: -345.487175
where:
bonds (distance) C4'-P energy: -64.525
bonds (distance) P-C4' energy: -73.230
flat angles C4'-P-C4' energy: -65.333
flat angles P-C4'-P energy: -62.786
tors. eta vs tors. theta energy: -79.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 590
Temperature: 1.200000
Total energy: -815.477044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.477044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.477044 (E_RNA)
where:
Base-Base interactions energy: -499.286
where: short stacking energy: -234.366
Base-Backbone interact. energy: 3.258
local terms energy: -319.448185
where:
bonds (distance) C4'-P energy: -71.434
bonds (distance) P-C4' energy: -77.059
flat angles C4'-P-C4' energy: -69.672
flat angles P-C4'-P energy: -47.010
tors. eta vs tors. theta energy: -54.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 590
Temperature: 1.250000
Total energy: -608.252039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.252039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.252039 (E_RNA)
where:
Base-Base interactions energy: -354.472
where: short stacking energy: -169.146
Base-Backbone interact. energy: -2.243
local terms energy: -251.536326
where:
bonds (distance) C4'-P energy: -65.419
bonds (distance) P-C4' energy: -72.582
flat angles C4'-P-C4' energy: -60.832
flat angles P-C4'-P energy: -26.138
tors. eta vs tors. theta energy: -26.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 590
Temperature: 1.300000
Total energy: -372.305487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.305487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.305487 (E_RNA)
where:
Base-Base interactions energy: -139.660
where: short stacking energy: -105.117
Base-Backbone interact. energy: -2.042
local terms energy: -230.603245
where:
bonds (distance) C4'-P energy: -62.343
bonds (distance) P-C4' energy: -67.387
flat angles C4'-P-C4' energy: -61.774
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 590
Temperature: 1.350000
Total energy: -351.298215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.298215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.298215 (E_RNA)
where:
Base-Base interactions energy: -146.947
where: short stacking energy: -91.583
Base-Backbone interact. energy: -0.044
local terms energy: -204.307301
where:
bonds (distance) C4'-P energy: -66.207
bonds (distance) P-C4' energy: -75.250
flat angles C4'-P-C4' energy: -53.818
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: 13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 591
Temperature: 0.900000
Total energy: -1440.415710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.415710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.415710 (E_RNA)
where:
Base-Base interactions energy: -988.359
where: short stacking energy: -425.226
Base-Backbone interact. energy: -1.542
local terms energy: -450.514137
where:
bonds (distance) C4'-P energy: -87.409
bonds (distance) P-C4' energy: -82.976
flat angles C4'-P-C4' energy: -91.901
flat angles P-C4'-P energy: -56.144
tors. eta vs tors. theta energy: -132.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 591
Temperature: 0.950000
Total energy: -1361.700342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.700342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.700342 (E_RNA)
where:
Base-Base interactions energy: -943.086
where: short stacking energy: -397.692
Base-Backbone interact. energy: -1.278
local terms energy: -417.335760
where:
bonds (distance) C4'-P energy: -74.084
bonds (distance) P-C4' energy: -85.203
flat angles C4'-P-C4' energy: -87.649
flat angles P-C4'-P energy: -52.632
tors. eta vs tors. theta energy: -117.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 591
Temperature: 1.000000
Total energy: -1299.297126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.297126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.297126 (E_RNA)
where:
Base-Base interactions energy: -902.970
where: short stacking energy: -355.666
Base-Backbone interact. energy: 0.821
local terms energy: -397.147458
where:
bonds (distance) C4'-P energy: -76.610
bonds (distance) P-C4' energy: -70.770
flat angles C4'-P-C4' energy: -84.003
flat angles P-C4'-P energy: -52.575
tors. eta vs tors. theta energy: -113.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 591
Temperature: 1.050000
Total energy: -1243.208975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.208975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.208975 (E_RNA)
where:
Base-Base interactions energy: -827.179
where: short stacking energy: -371.222
Base-Backbone interact. energy: -0.067
local terms energy: -415.962877
where:
bonds (distance) C4'-P energy: -72.766
bonds (distance) P-C4' energy: -83.855
flat angles C4'-P-C4' energy: -88.103
flat angles P-C4'-P energy: -50.499
tors. eta vs tors. theta energy: -120.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 591
Temperature: 1.100000
Total energy: -1207.714804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.714804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.714804 (E_RNA)
where:
Base-Base interactions energy: -797.321
where: short stacking energy: -358.242
Base-Backbone interact. energy: 0.106
local terms energy: -410.499144
where:
bonds (distance) C4'-P energy: -69.379
bonds (distance) P-C4' energy: -83.113
flat angles C4'-P-C4' energy: -90.319
flat angles P-C4'-P energy: -57.851
tors. eta vs tors. theta energy: -109.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 591
Temperature: 1.150000
Total energy: -986.577057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.577057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.577057 (E_RNA)
where:
Base-Base interactions energy: -651.931
where: short stacking energy: -293.378
Base-Backbone interact. energy: -1.804
local terms energy: -332.842468
where:
bonds (distance) C4'-P energy: -70.680
bonds (distance) P-C4' energy: -70.139
flat angles C4'-P-C4' energy: -67.485
flat angles P-C4'-P energy: -41.356
tors. eta vs tors. theta energy: -83.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 591
Temperature: 1.200000
Total energy: -810.462957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.462957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.462957 (E_RNA)
where:
Base-Base interactions energy: -494.479
where: short stacking energy: -229.435
Base-Backbone interact. energy: -0.406
local terms energy: -315.577590
where:
bonds (distance) C4'-P energy: -57.818
bonds (distance) P-C4' energy: -76.984
flat angles C4'-P-C4' energy: -81.998
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -53.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 591
Temperature: 1.250000
Total energy: -690.558356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.558356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.558356 (E_RNA)
where:
Base-Base interactions energy: -422.152
where: short stacking energy: -179.798
Base-Backbone interact. energy: -1.829
local terms energy: -266.577256
where:
bonds (distance) C4'-P energy: -65.598
bonds (distance) P-C4' energy: -67.196
flat angles C4'-P-C4' energy: -64.726
flat angles P-C4'-P energy: -40.386
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 591
Temperature: 1.300000
Total energy: -355.868985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.868985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.868985 (E_RNA)
where:
Base-Base interactions energy: -153.217
where: short stacking energy: -100.128
Base-Backbone interact. energy: 5.919
local terms energy: -208.571692
where:
bonds (distance) C4'-P energy: -53.293
bonds (distance) P-C4' energy: -64.858
flat angles C4'-P-C4' energy: -56.688
flat angles P-C4'-P energy: -32.215
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 591
Temperature: 1.350000
Total energy: -319.710889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.710889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.710889 (E_RNA)
where:
Base-Base interactions energy: -123.973
where: short stacking energy: -85.614
Base-Backbone interact. energy: -2.252
local terms energy: -193.486444
where:
bonds (distance) C4'-P energy: -57.775
bonds (distance) P-C4' energy: -65.335
flat angles C4'-P-C4' energy: -46.139
flat angles P-C4'-P energy: -33.123
tors. eta vs tors. theta energy: 8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 592
Temperature: 0.900000
Total energy: -1414.766380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.766380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.766380 (E_RNA)
where:
Base-Base interactions energy: -966.980
where: short stacking energy: -414.244
Base-Backbone interact. energy: -1.837
local terms energy: -445.949624
where:
bonds (distance) C4'-P energy: -85.364
bonds (distance) P-C4' energy: -83.464
flat angles C4'-P-C4' energy: -88.511
flat angles P-C4'-P energy: -57.419
tors. eta vs tors. theta energy: -131.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 592
Temperature: 0.950000
Total energy: -1361.353979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.353979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.353979 (E_RNA)
where:
Base-Base interactions energy: -931.989
where: short stacking energy: -400.981
Base-Backbone interact. energy: -0.712
local terms energy: -428.653293
where:
bonds (distance) C4'-P energy: -76.999
bonds (distance) P-C4' energy: -80.403
flat angles C4'-P-C4' energy: -93.172
flat angles P-C4'-P energy: -55.867
tors. eta vs tors. theta energy: -122.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 592
Temperature: 1.000000
Total energy: -1298.529101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.529101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.529101 (E_RNA)
where:
Base-Base interactions energy: -895.764
where: short stacking energy: -364.410
Base-Backbone interact. energy: 9.466
local terms energy: -412.230823
where:
bonds (distance) C4'-P energy: -78.577
bonds (distance) P-C4' energy: -77.954
flat angles C4'-P-C4' energy: -94.687
flat angles P-C4'-P energy: -46.066
tors. eta vs tors. theta energy: -114.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 592
Temperature: 1.050000
Total energy: -1226.111997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.111997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.111997 (E_RNA)
where:
Base-Base interactions energy: -829.490
where: short stacking energy: -339.589
Base-Backbone interact. energy: -0.852
local terms energy: -395.770216
where:
bonds (distance) C4'-P energy: -69.558
bonds (distance) P-C4' energy: -81.304
flat angles C4'-P-C4' energy: -79.849
flat angles P-C4'-P energy: -57.163
tors. eta vs tors. theta energy: -107.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 592
Temperature: 1.100000
Total energy: -1161.346522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.346522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.346522 (E_RNA)
where:
Base-Base interactions energy: -789.187
where: short stacking energy: -326.623
Base-Backbone interact. energy: -2.578
local terms energy: -369.582069
where:
bonds (distance) C4'-P energy: -81.292
bonds (distance) P-C4' energy: -68.238
flat angles C4'-P-C4' energy: -80.398
flat angles P-C4'-P energy: -41.638
tors. eta vs tors. theta energy: -98.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 592
Temperature: 1.150000
Total energy: -1011.287108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.287108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.287108 (E_RNA)
where:
Base-Base interactions energy: -664.156
where: short stacking energy: -287.749
Base-Backbone interact. energy: -1.195
local terms energy: -345.936346
where:
bonds (distance) C4'-P energy: -80.859
bonds (distance) P-C4' energy: -75.809
flat angles C4'-P-C4' energy: -70.692
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -79.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 592
Temperature: 1.200000
Total energy: -809.420811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.420811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.420811 (E_RNA)
where:
Base-Base interactions energy: -493.615
where: short stacking energy: -216.140
Base-Backbone interact. energy: 0.068
local terms energy: -315.874117
where:
bonds (distance) C4'-P energy: -76.397
bonds (distance) P-C4' energy: -69.129
flat angles C4'-P-C4' energy: -71.937
flat angles P-C4'-P energy: -51.672
tors. eta vs tors. theta energy: -46.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 592
Temperature: 1.250000
Total energy: -623.713677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.713677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.713677 (E_RNA)
where:
Base-Base interactions energy: -364.914
where: short stacking energy: -165.400
Base-Backbone interact. energy: -2.078
local terms energy: -256.721970
where:
bonds (distance) C4'-P energy: -47.932
bonds (distance) P-C4' energy: -69.452
flat angles C4'-P-C4' energy: -70.585
flat angles P-C4'-P energy: -46.977
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 592
Temperature: 1.300000
Total energy: -356.341000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.341000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.341000 (E_RNA)
where:
Base-Base interactions energy: -142.503
where: short stacking energy: -117.576
Base-Backbone interact. energy: 1.939
local terms energy: -215.777292
where:
bonds (distance) C4'-P energy: -52.950
bonds (distance) P-C4' energy: -67.829
flat angles C4'-P-C4' energy: -64.798
flat angles P-C4'-P energy: -30.024
tors. eta vs tors. theta energy: -0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 592
Temperature: 1.350000
Total energy: -317.199175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.199175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.199175 (E_RNA)
where:
Base-Base interactions energy: -128.869
where: short stacking energy: -94.424
Base-Backbone interact. energy: -0.276
local terms energy: -188.054128
where:
bonds (distance) C4'-P energy: -65.749
bonds (distance) P-C4' energy: -55.212
flat angles C4'-P-C4' energy: -42.225
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: 11.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
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DONE
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DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 593
Temperature: 0.900000
Total energy: -1416.623343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.623343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.623343 (E_RNA)
where:
Base-Base interactions energy: -969.450
where: short stacking energy: -425.337
Base-Backbone interact. energy: 1.020
local terms energy: -448.192903
where:
bonds (distance) C4'-P energy: -83.557
bonds (distance) P-C4' energy: -79.553
flat angles C4'-P-C4' energy: -93.044
flat angles P-C4'-P energy: -61.135
tors. eta vs tors. theta energy: -130.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 593
Temperature: 0.950000
Total energy: -1359.537843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.537843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.537843 (E_RNA)
where:
Base-Base interactions energy: -938.064
where: short stacking energy: -383.496
Base-Backbone interact. energy: 1.411
local terms energy: -422.884549
where:
bonds (distance) C4'-P energy: -72.333
bonds (distance) P-C4' energy: -74.935
flat angles C4'-P-C4' energy: -95.144
flat angles P-C4'-P energy: -61.280
tors. eta vs tors. theta energy: -119.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 593
Temperature: 1.000000
Total energy: -1300.561995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.561995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.561995 (E_RNA)
where:
Base-Base interactions energy: -880.861
where: short stacking energy: -367.064
Base-Backbone interact. energy: 0.023
local terms energy: -419.724793
where:
bonds (distance) C4'-P energy: -82.521
bonds (distance) P-C4' energy: -80.432
flat angles C4'-P-C4' energy: -93.910
flat angles P-C4'-P energy: -49.606
tors. eta vs tors. theta energy: -113.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 593
Temperature: 1.050000
Total energy: -1237.491158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.491158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.491158 (E_RNA)
where:
Base-Base interactions energy: -828.199
where: short stacking energy: -353.765
Base-Backbone interact. energy: -1.124
local terms energy: -408.168342
where:
bonds (distance) C4'-P energy: -79.619
bonds (distance) P-C4' energy: -71.795
flat angles C4'-P-C4' energy: -84.855
flat angles P-C4'-P energy: -56.808
tors. eta vs tors. theta energy: -115.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 593
Temperature: 1.100000
Total energy: -1187.313424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.313424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.313424 (E_RNA)
where:
Base-Base interactions energy: -801.041
where: short stacking energy: -332.757
Base-Backbone interact. energy: -0.281
local terms energy: -385.990915
where:
bonds (distance) C4'-P energy: -67.816
bonds (distance) P-C4' energy: -78.260
flat angles C4'-P-C4' energy: -74.096
flat angles P-C4'-P energy: -54.038
tors. eta vs tors. theta energy: -111.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 593
Temperature: 1.150000
Total energy: -949.554329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.554329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.554329 (E_RNA)
where:
Base-Base interactions energy: -612.245
where: short stacking energy: -276.067
Base-Backbone interact. energy: -3.482
local terms energy: -333.827346
where:
bonds (distance) C4'-P energy: -61.834
bonds (distance) P-C4' energy: -75.600
flat angles C4'-P-C4' energy: -78.992
flat angles P-C4'-P energy: -44.533
tors. eta vs tors. theta energy: -72.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 593
Temperature: 1.200000
Total energy: -787.771825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.771825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.771825 (E_RNA)
where:
Base-Base interactions energy: -496.244
where: short stacking energy: -217.930
Base-Backbone interact. energy: -1.576
local terms energy: -289.951549
where:
bonds (distance) C4'-P energy: -67.178
bonds (distance) P-C4' energy: -67.447
flat angles C4'-P-C4' energy: -65.092
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -49.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 593
Temperature: 1.250000
Total energy: -622.553289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.553289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.553289 (E_RNA)
where:
Base-Base interactions energy: -368.095
where: short stacking energy: -147.313
Base-Backbone interact. energy: -0.763
local terms energy: -253.694643
where:
bonds (distance) C4'-P energy: -47.999
bonds (distance) P-C4' energy: -76.661
flat angles C4'-P-C4' energy: -75.897
flat angles P-C4'-P energy: -30.986
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 593
Temperature: 1.300000
Total energy: -383.602896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.602896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.602896 (E_RNA)
where:
Base-Base interactions energy: -177.058
where: short stacking energy: -102.515
Base-Backbone interact. energy: -0.692
local terms energy: -205.853064
where:
bonds (distance) C4'-P energy: -61.380
bonds (distance) P-C4' energy: -73.351
flat angles C4'-P-C4' energy: -47.353
flat angles P-C4'-P energy: -38.291
tors. eta vs tors. theta energy: 14.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 593
Temperature: 1.350000
Total energy: -326.665232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.665232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.665232 (E_RNA)
where:
Base-Base interactions energy: -113.189
where: short stacking energy: -94.886
Base-Backbone interact. energy: -0.911
local terms energy: -212.565918
where:
bonds (distance) C4'-P energy: -65.926
bonds (distance) P-C4' energy: -73.410
flat angles C4'-P-C4' energy: -45.334
flat angles P-C4'-P energy: -33.341
tors. eta vs tors. theta energy: 5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 594
Temperature: 0.900000
Total energy: -1431.182343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.182343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.182343 (E_RNA)
where:
Base-Base interactions energy: -982.460
where: short stacking energy: -420.584
Base-Backbone interact. energy: -0.533
local terms energy: -448.189907
where:
bonds (distance) C4'-P energy: -73.708
bonds (distance) P-C4' energy: -81.372
flat angles C4'-P-C4' energy: -93.195
flat angles P-C4'-P energy: -64.939
tors. eta vs tors. theta energy: -134.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 594
Temperature: 0.950000
Total energy: -1339.598210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.598210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.598210 (E_RNA)
where:
Base-Base interactions energy: -915.330
where: short stacking energy: -382.401
Base-Backbone interact. energy: -1.191
local terms energy: -423.076648
where:
bonds (distance) C4'-P energy: -80.201
bonds (distance) P-C4' energy: -78.394
flat angles C4'-P-C4' energy: -88.221
flat angles P-C4'-P energy: -66.934
tors. eta vs tors. theta energy: -109.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 594
Temperature: 1.000000
Total energy: -1287.849014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.849014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.849014 (E_RNA)
where:
Base-Base interactions energy: -877.408
where: short stacking energy: -374.821
Base-Backbone interact. energy: 0.104
local terms energy: -410.545726
where:
bonds (distance) C4'-P energy: -74.836
bonds (distance) P-C4' energy: -69.753
flat angles C4'-P-C4' energy: -87.821
flat angles P-C4'-P energy: -56.496
tors. eta vs tors. theta energy: -121.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 594
Temperature: 1.050000
Total energy: -1262.731968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.731968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.731968 (E_RNA)
where:
Base-Base interactions energy: -836.509
where: short stacking energy: -384.501
Base-Backbone interact. energy: -0.991
local terms energy: -425.231207
where:
bonds (distance) C4'-P energy: -77.846
bonds (distance) P-C4' energy: -75.528
flat angles C4'-P-C4' energy: -82.243
flat angles P-C4'-P energy: -66.576
tors. eta vs tors. theta energy: -123.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 594
Temperature: 1.100000
Total energy: -1147.418036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.418036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.418036 (E_RNA)
where:
Base-Base interactions energy: -781.751
where: short stacking energy: -333.153
Base-Backbone interact. energy: -1.568
local terms energy: -364.098459
where:
bonds (distance) C4'-P energy: -58.954
bonds (distance) P-C4' energy: -69.735
flat angles C4'-P-C4' energy: -80.936
flat angles P-C4'-P energy: -54.747
tors. eta vs tors. theta energy: -99.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 594
Temperature: 1.150000
Total energy: -942.491233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.491233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.491233 (E_RNA)
where:
Base-Base interactions energy: -616.066
where: short stacking energy: -267.270
Base-Backbone interact. energy: -1.853
local terms energy: -324.572168
where:
bonds (distance) C4'-P energy: -61.265
bonds (distance) P-C4' energy: -74.029
flat angles C4'-P-C4' energy: -83.563
flat angles P-C4'-P energy: -36.676
tors. eta vs tors. theta energy: -69.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 594
Temperature: 1.200000
Total energy: -827.328675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.328675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.328675 (E_RNA)
where:
Base-Base interactions energy: -508.244
where: short stacking energy: -232.578
Base-Backbone interact. energy: 3.558
local terms energy: -322.642910
where:
bonds (distance) C4'-P energy: -67.100
bonds (distance) P-C4' energy: -66.034
flat angles C4'-P-C4' energy: -76.944
flat angles P-C4'-P energy: -53.383
tors. eta vs tors. theta energy: -59.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 594
Temperature: 1.250000
Total energy: -594.909471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.909471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.909471 (E_RNA)
where:
Base-Base interactions energy: -338.290
where: short stacking energy: -176.716
Base-Backbone interact. energy: -0.151
local terms energy: -256.467835
where:
bonds (distance) C4'-P energy: -69.042
bonds (distance) P-C4' energy: -71.864
flat angles C4'-P-C4' energy: -57.843
flat angles P-C4'-P energy: -32.570
tors. eta vs tors. theta energy: -25.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 594
Temperature: 1.300000
Total energy: -426.908516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.908516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.908516 (E_RNA)
where:
Base-Base interactions energy: -191.364
where: short stacking energy: -111.831
Base-Backbone interact. energy: 3.588
local terms energy: -239.132245
where:
bonds (distance) C4'-P energy: -68.354
bonds (distance) P-C4' energy: -61.378
flat angles C4'-P-C4' energy: -64.142
flat angles P-C4'-P energy: -43.847
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 594
Temperature: 1.350000
Total energy: -327.380721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.380721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.380721 (E_RNA)
where:
Base-Base interactions energy: -114.407
where: short stacking energy: -80.398
Base-Backbone interact. energy: -2.108
local terms energy: -210.865962
where:
bonds (distance) C4'-P energy: -53.777
bonds (distance) P-C4' energy: -71.933
flat angles C4'-P-C4' energy: -61.243
flat angles P-C4'-P energy: -42.727
tors. eta vs tors. theta energy: 18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE